N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide

C16H27N3O — CID 43273391

IUPACN-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(CN)cc1)CC(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyLMVLXAPDWQEAAW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide

N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide (PubChem CID 43273391) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
PubChem CID43273391
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(CN)cc1)CC(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20)
InChIKeyLMVLXAPDWQEAAW-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273712
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-(4-chlorophenyl)-3-(diethylamino)propanamide
CID 109030730
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide (CID 43273391) is N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(CN)cc1)CC(C)C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide?
The InChIKey is LMVLXAPDWQEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(12-13(2)3)10-9-16(20)18-15-7-5-14(11-17)6-8-15/h5-8,13H,4,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide?
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.45, 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]-3-[ethyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43273391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).