4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride

C17H28ClN3O3 — CID 120591026

IUPAC4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(CN)OC)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-4-10-20(16(21)11-15(12-18)23-3)13(2)17(22)19-14-8-6-5-7-9-14;/h5-9,13,15H,4,10-12,18H2,1-3H3,(H,19,22);1H
InChIKeyKJEOLWPTALPERR-UHFFFAOYSA-N
MW357.88 g/mol
LogP2.04
Rot. Bonds9

About 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride

4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride (PubChem CID 120591026) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
PubChem CID120591026
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Name4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CC(CN)OC)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-4-10-20(16(21)11-15(12-18)23-3)13(2)17(22)19-14-8-6-5-7-9-14;/h5-9,13,15H,4,10-12,18H2,1-3H3,(H,19,22);1H
InChIKeyKJEOLWPTALPERR-UHFFFAOYSA-N
XLogP2.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride
CID 119763094
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311611
4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 120593580
N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
CID 122147154
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride (CID 120591026) is 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride is CCCN(C(=O)CC(CN)OC)C(C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride?
The InChIKey is KJEOLWPTALPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-4-10-20(16(21)11-15(12-18)23-3)13(2)17(22)19-14-8-6-5-7-9-14;/h5-9,13,15H,4,10-12,18H2,1-3H3,(H,19,22);1H.
What are the key properties of 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride?
4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 120591026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).