N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide

C17H27N3O — CID 43479003

IUPACN-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-3-10-20(12-15-4-5-15)13(2)17(21)19-16-8-6-14(11-18)7-9-16/h6-9,13,15H,3-5,10-12,18H2,1-2H3,(H,19,21)
InChIKeySMOSTZPKPZHUNK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide

N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide (PubChem CID 43479003) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
PubChem CID43479003
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CC1)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-3-10-20(12-15-4-5-15)13(2)17(21)19-16-8-6-14(11-18)7-9-16/h6-9,13,15H,3-5,10-12,18H2,1-2H3,(H,19,21)
InChIKeySMOSTZPKPZHUNK-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693223
N-(3-amino-4-methylphenyl)-2-(dipropylamino)propanamide
CID 82224877
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide (CID 43479003) is N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide is CCCN(CC1CC1)C(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide?
The InChIKey is SMOSTZPKPZHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-20(12-15-4-5-15)13(2)17(21)19-16-8-6-14(11-18)7-9-16/h6-9,13,15H,3-5,10-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide?
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 8 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-[cyclopropylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 43479003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).