N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide

C17H27N3O — CID 62862333

IUPACN-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(CN)c1)CC1CCC1
InChIInChI=1S/C17H27N3O/c1-20(13-14-5-2-6-14)10-4-9-17(21)19-16-8-3-7-15(11-16)12-18/h3,7-8,11,14H,2,4-6,9-10,12-13,18H2,1H3,(H,19,21)
InChIKeyMNPSBAJFJCMAJJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.60
Rot. Bonds8

About N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide

N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide (PubChem CID 62862333) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
PubChem CID62862333
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(CN)c1)CC1CCC1
InChIInChI=1S/C17H27N3O/c1-20(13-14-5-2-6-14)10-4-9-17(21)19-16-8-3-7-15(11-16)12-18/h3,7-8,11,14H,2,4-6,9-10,12-13,18H2,1H3,(H,19,21)
InChIKeyMNPSBAJFJCMAJJ-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545512
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
CID 60984633

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide (CID 62862333) is N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1cccc(CN)c1)CC1CCC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide?
The InChIKey is MNPSBAJFJCMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(13-14-5-2-6-14)10-4-9-17(21)19-16-8-3-7-15(11-16)12-18/h3,7-8,11,14H,2,4-6,9-10,12-13,18H2,1H3,(H,19,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide?
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 62862333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).