N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide

C18H30N2O — CID 119585731

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)NC(CN)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-5-15(16-8-6-14(4)7-9-16)11-18(21)20-17(12-19)10-13(2)3/h6-9,13,15,17H,5,10-12,19H2,1-4H3,(H,20,21)
InChIKeyKUZZCWSPDWDNJB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.37
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide

N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide (PubChem CID 119585731) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
PubChem CID119585731
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)NC(CN)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-5-15(16-8-6-14(4)7-9-16)11-18(21)20-17(12-19)10-13(2)3/h6-9,13,15,17H,5,10-12,19H2,1-4H3,(H,20,21)
InChIKeyKUZZCWSPDWDNJB-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
(3S)-3-(aminomethyl)-5-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]hexanamide
CID 81355844
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
3-acetamido-N-(1-amino-4-methylpentan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119587703
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide (CID 119585731) is N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide is CCC(CC(=O)NC(CN)CC(C)C)c1ccc(C)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide?
The InChIKey is KUZZCWSPDWDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-15(16-8-6-14(4)7-9-16)11-18(21)20-17(12-19)10-13(2)3/h6-9,13,15,17H,5,10-12,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 119585731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).