N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

C29H32N2O4 — CID 42342953

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)N(C)C[C@H]3Cc4ccccc4O3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C29H32N2O4/c1-31(19-22-17-20-7-3-6-10-25(20)35-22)28(33)14-16-29(15-13-27(32)30-29)18-21-11-12-26(34-2)24-9-5-4-8-23(21)24/h3-12,22H,13-19H2,1-2H3,(H,30,32)/t22-,29+/m1/s1
InChIKeyQMWNSCMNHYIVAN-MNNSJKJDSA-N
MW472.59 g/mol
LogP4.28
Rot. Bonds8

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 42342953) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
PubChem CID42342953
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(C[C@@]2(CCC(=O)N(C)C[C@H]3Cc4ccccc4O3)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C29H32N2O4/c1-31(19-22-17-20-7-3-6-10-25(20)35-22)28(33)14-16-29(15-13-27(32)30-29)18-21-11-12-26(34-2)24-9-5-4-8-23(21)24/h3-12,22H,13-19H2,1-2H3,(H,30,32)/t22-,29+/m1/s1
InChIKeyQMWNSCMNHYIVAN-MNNSJKJDSA-N
XLogP4.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methylpropanamide
CID 26277066
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 135892921
N-ethyl-N-(2-hydroxyethyl)-3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42167605
N-(1-hydroxypropan-2-yl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45173504
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
CID 45169176
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 42248508
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 42366710
N-[2-(2-chlorophenyl)ethyl]-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45176527
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45185104

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (CID 42342953) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is COc1ccc(C[C@@]2(CCC(=O)N(C)C[C@H]3Cc4ccccc4O3)CCC(=O)N2)c2ccccc12.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is QMWNSCMNHYIVAN-MNNSJKJDSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-31(19-22-17-20-7-3-6-10-25(20)35-22)28(33)14-16-29(15-13-27(32)30-29)18-21-11-12-26(34-2)24-9-5-4-8-23(21)24/h3-12,22H,13-19H2,1-2H3,(H,30,32)/t22-,29+/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 472.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 42342953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).