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

C17H26N2O — CID 60938574

IUPAC2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19(15-10-11-15)12-14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12,18H2,1-2H3
InChIKeyBGNUESBENNCAAR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.87
Rot. Bonds7

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

2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide (PubChem CID 60938574) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
PubChem CID60938574
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1
InChIInChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19(15-10-11-15)12-14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12,18H2,1-2H3
InChIKeyBGNUESBENNCAAR-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide (CID 60938574) is 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide is CCCC(N)C(=O)N(Cc1ccc(CC)cc1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide?
The InChIKey is BGNUESBENNCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-16(18)17(20)19(15-10-11-15)12-14-8-6-13(4-2)7-9-14/h6-9,15-16H,3-5,10-12,18H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide?
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide has a molecular weight of 274.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide is sourced from PubChem (CID 60938574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).