2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide

C14H23N3O — CID 142205419

IUPAC2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
SMILESCCc1cccc(CNCCCNC(=O)CN)c1
InChIInChI=1S/C14H23N3O/c1-2-12-5-3-6-13(9-12)11-16-7-4-8-17-14(18)10-15/h3,5-6,9,16H,2,4,7-8,10-11,15H2,1H3,(H,17,18)
InChIKeyTXHOXCCRIACFOC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.80
Rot. Bonds8

About 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide

2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide (PubChem CID 142205419) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
PubChem CID142205419
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
SMILESCCc1cccc(CNCCCNC(=O)CN)c1
InChIInChI=1S/C14H23N3O/c1-2-12-5-3-6-13(9-12)11-16-7-4-8-17-14(18)10-15/h3,5-6,9,16H,2,4,7-8,10-11,15H2,1H3,(H,17,18)
InChIKeyTXHOXCCRIACFOC-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 142242776
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
(3-ethylphenyl)methylurea
CID 70298508
N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide
CID 142242677
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
N-[(3-ethylphenyl)methyl]-3-methylbutanamide
CID 70824104
(2R)-2-(4-butyl-3-oxopiperazin-1-yl)-N-[3-[(3-ethylphenyl)methylamino]propyl]propanamide
CID 142242040
N-[1-[3-[(3-ethylphenyl)methylamino]propylamino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide
CID 142191748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide?
The IUPAC name of 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide (CID 142205419) is 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide is CCc1cccc(CNCCCNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide?
The InChIKey is TXHOXCCRIACFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12-5-3-6-13(9-12)11-16-7-4-8-17-14(18)10-15/h3,5-6,9,16H,2,4,7-8,10-11,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide?
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide is sourced from PubChem (CID 142205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).