N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide

C16H27N3O — CID 61425557

IUPACN-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-19(4)13(3)16(20)18-15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyZKPBEXVAHSCRLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide

N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide (PubChem CID 61425557) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
PubChem CID61425557
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
SMILESCC(C)CCN(C)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)9-10-19(4)13(3)16(20)18-15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyZKPBEXVAHSCRLZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693223
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)propanamide
CID 107767477
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373924
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43479003
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide (CID 61425557) is N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide is CC(C)CCN(C)C(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide?
The InChIKey is ZKPBEXVAHSCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-10-19(4)13(3)16(20)18-15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide?
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide is sourced from PubChem (CID 61425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).