N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide

C16H26N2O — CID 119582075

IUPACN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-13-8-10-15(11-9-13)6-4-5-7-16(19)18(3)14(2)12-17/h8-11,14H,4-7,12,17H2,1-3H3
InChIKeyKHOUTMZSMUEWRU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.51
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide

N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide (PubChem CID 119582075) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
PubChem CID119582075
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
SMILESCc1ccc(CCCCC(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O/c1-13-8-10-15(11-9-13)6-4-5-7-16(19)18(3)14(2)12-17/h8-11,14H,4-7,12,17H2,1-3H3
InChIKeyKHOUTMZSMUEWRU-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 119585107
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
N-(1-aminopropan-2-yl)-N-methyl-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119582548
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 119584639

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide (CID 119582075) is N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide is Cc1ccc(CCCCC(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide?
The InChIKey is KHOUTMZSMUEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-8-10-15(11-9-13)6-4-5-7-16(19)18(3)14(2)12-17/h8-11,14H,4-7,12,17H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide?
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide is sourced from PubChem (CID 119582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).