N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide

C17H27N3O — CID 62862492

IUPACN-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCN(C)CC1CCC1
InChIInChI=1S/C17H27N3O/c1-13-11-15(18)8-9-16(13)19-17(21)7-4-10-20(2)12-14-5-3-6-14/h8-9,11,14H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyFGRARCZYADRKOW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.03
Rot. Bonds7

About N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide

N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide (PubChem CID 62862492) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
PubChem CID62862492
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCN(C)CC1CCC1
InChIInChI=1S/C17H27N3O/c1-13-11-15(18)8-9-16(13)19-17(21)7-4-10-20(2)12-14-5-3-6-14/h8-9,11,14H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyFGRARCZYADRKOW-UHFFFAOYSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-(4-amino-2-methylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63727269
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide (CID 62862492) is N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide is Cc1cc(N)ccc1NC(=O)CCCN(C)CC1CCC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide?
The InChIKey is FGRARCZYADRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-15(18)8-9-16(13)19-17(21)7-4-10-20(2)12-14-5-3-6-14/h8-9,11,14H,3-7,10,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide?
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 62862492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).