4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride

C16H27ClN2O3 — CID 119267799

IUPAC4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CCCN)cc1OCC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-16(19)7-6-10-17;/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyUNSPRAIUXHZEEF-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.82
Rot. Bonds9

About 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride

4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119267799) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
PubChem CID119267799
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CCCN)cc1OCC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-16(19)7-6-10-17;/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19);1H
InChIKeyUNSPRAIUXHZEEF-UHFFFAOYSA-N
XLogP2.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55787245
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride (CID 119267799) is 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride is CCOc1ccc(C(C)NC(=O)CCCN)cc1OCC.Cl.
What is the InChIKey of 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is UNSPRAIUXHZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-4-20-14-9-8-13(11-15(14)21-5-2)12(3)18-16(19)7-6-10-17;/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.82, 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-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).