(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide

C16H27N3O — CID 61258840

IUPAC(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
SMILESCCN(CCCNC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-16(20)15(17)13(2)3/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyOWTYOFZZTKRRCY-HNNXBMFYSA-N
MW277.41 g/mol
LogP2.00
Rot. Bonds8

About (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide

(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide (PubChem CID 61258840) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
PubChem CID61258840
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
SMILESCCN(CCCNC(=O)[C@@H](N)C(C)C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-16(20)15(17)13(2)3/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyOWTYOFZZTKRRCY-HNNXBMFYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
3-(N-ethylanilino)propylurea
CID 112708177
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
methyl 3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111390285
2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
CID 63679963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide (CID 61258840) is (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide is CCN(CCCNC(=O)[C@@H](N)C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?
The InChIKey is OWTYOFZZTKRRCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19(14-9-6-5-7-10-14)12-8-11-18-16(20)15(17)13(2)3/h5-7,9-10,13,15H,4,8,11-12,17H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide?
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide is sourced from PubChem (CID 61258840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).