3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide

C25H31N3O4 — CID 42248508

IUPAC3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C25H31N3O4/c1-32-21-10-9-17(18-6-2-3-7-19(18)21)16-25(14-12-23(30)28-25)13-11-22(29)27-20-8-4-5-15-26-24(20)31/h2-3,6-7,9-10,20H,4-5,8,11-16H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t20-,25-/m0/s1
InChIKeyQECPEPWPAMNIJF-CPJSRVTESA-N
MW437.54 g/mol
LogP2.60
Rot. Bonds7

About 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide

3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide (PubChem CID 42248508) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
PubChem CID42248508
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C25H31N3O4/c1-32-21-10-9-17(18-6-2-3-7-19(18)21)16-25(14-12-23(30)28-25)13-11-22(29)27-20-8-4-5-15-26-24(20)31/h2-3,6-7,9-10,20H,4-5,8,11-16H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t20-,25-/m0/s1
InChIKeyQECPEPWPAMNIJF-CPJSRVTESA-N
XLogP2.60
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 126467480
N-(1-hydroxypropan-2-yl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45173504
methyl (2S)-1-[3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]pyrrolidine-2-carboxylate
CID 26350006
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-phenylpropyl)propanamide
CID 45169176
3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26282696
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-[[(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
N-cyclopropyl-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42164277
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42367001
3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42366993
N-(2,3-dihydro-1H-inden-2-yl)-3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42238379

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The IUPAC name of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide (CID 42248508) is 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide is COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12.
What is the InChIKey of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The InChIKey is QECPEPWPAMNIJF-CPJSRVTESA-N. The full InChI is InChI=1S/C25H31N3O4/c1-32-21-10-9-17(18-6-2-3-7-19(18)21)16-25(14-12-23(30)28-25)13-11-22(29)27-20-8-4-5-15-26-24(20)31/h2-3,6-7,9-10,20H,4-5,8,11-16H2,1H3,(H,26,31)(H,27,29)(H,28,30)/t20-,25-/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide?
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide has a molecular weight of 437.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-[(3S)-2-oxoazepan-3-yl]propanamide is sourced from PubChem (CID 42248508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).