(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide

C16H24N2O2 — CID 107569374

IUPAC(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-14(17)16(19)18-15(11-5-6-11)12-7-9-13(20-2)10-8-12/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyLTMHXBXWIDBNQM-MLCCFXAWSA-N
MW276.38 g/mol
LogP2.39
Rot. Bonds7

About (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide

(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide (PubChem CID 107569374) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
PubChem CID107569374
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-14(17)16(19)18-15(11-5-6-11)12-7-9-13(20-2)10-8-12/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyLTMHXBXWIDBNQM-MLCCFXAWSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Ambucetamide
CID 10616
Priralfinamide
CID 5745207
N-(2-Isobutyl-3-(N'-hydroxycarbonylamido)propanoyl)-O-methyltyrosinemethylamide
CID 128564
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
N-(4-methoxybenzyl)oleamide
CID 11502240
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide (CID 107569374) is (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide is CCC[C@H](N)C(=O)NC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide?
The InChIKey is LTMHXBXWIDBNQM-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-14(17)16(19)18-15(11-5-6-11)12-7-9-13(20-2)10-8-12/h7-11,14-15H,3-6,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide?
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 107569374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).