(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide

C22H26N2O3 — CID 8770183

IUPAC(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C2CC2)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(22(26)23-19-8-6-18(7-9-19)16(2)25)24(20-10-11-20)14-17-4-12-21(27-3)13-5-17/h4-9,12-13,15,20H,10-11,14H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyQVXRCWDFJDUXMY-OAHLLOKOSA-N
MW366.46 g/mol
LogP3.89
Rot. Bonds8

About (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide

(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 8770183) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID8770183
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C2CC2)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(22(26)23-19-8-6-18(7-9-19)16(2)25)24(20-10-11-20)14-17-4-12-21(27-3)13-5-17/h4-9,12-13,15,20H,10-11,14H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyQVXRCWDFJDUXMY-OAHLLOKOSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 8770830
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770549
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2S,3R)-3-[(4-acetylphenyl)carbamoyl-[(4-methoxyphenyl)methyl]amino]-1-oxalopyrrolidine-2-carboxylic acid
CID 11884492
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide (CID 8770183) is (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C2CC2)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is QVXRCWDFJDUXMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(22(26)23-19-8-6-18(7-9-19)16(2)25)24(20-10-11-20)14-17-4-12-21(27-3)13-5-17/h4-9,12-13,15,20H,10-11,14H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide?
(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8770183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).