N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide

C16H27N3O — CID 43265468

IUPACN-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cccc(CN)c1)C(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(13(2)3)10-6-9-16(20)18-15-8-5-7-14(11-15)12-17/h5,7-8,11,13H,4,6,9-10,12,17H2,1-3H3,(H,18,20)
InChIKeyJMEWGHUIHOMBLW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds8

About N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide

N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide (PubChem CID 43265468) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
PubChem CID43265468
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1cccc(CN)c1)C(C)C
InChIInChI=1S/C16H27N3O/c1-4-19(13(2)3)10-6-9-16(20)18-15-8-5-7-14(11-15)12-17/h5,7-8,11,13H,4,6,9-10,12,17H2,1-3H3,(H,18,20)
InChIKeyJMEWGHUIHOMBLW-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
CID 81329533
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
CID 21333821
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide (CID 43265468) is N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide is CCN(CCCC(=O)Nc1cccc(CN)c1)C(C)C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide?
The InChIKey is JMEWGHUIHOMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(13(2)3)10-6-9-16(20)18-15-8-5-7-14(11-15)12-17/h5,7-8,11,13H,4,6,9-10,12,17H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide?
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide has a molecular weight of 277.41 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-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide is sourced from PubChem (CID 43265468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).