4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride

C17H29ClN2O2 — CID 120593580

IUPAC4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(CC)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-15(11-14-9-7-6-8-10-14)19(5-2)17(20)12-16(13-18)21-3;/h6-10,15-16H,4-5,11-13,18H2,1-3H3;1H
InChIKeyWNZATHIEOFWKJG-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.64
Rot. Bonds9

About 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride

4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride (PubChem CID 120593580) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
PubChem CID120593580
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(Cc1ccccc1)N(CC)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-4-15(11-14-9-7-6-8-10-14)19(5-2)17(20)12-16(13-18)21-3;/h6-10,15-16H,4-5,11-13,18H2,1-3H3;1H
InChIKeyWNZATHIEOFWKJG-UHFFFAOYSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-methyl-N-(1-phenylbutan-2-yl)butanamide
CID 120593388
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
2-amino-N-ethyl-N-(1-phenylbutan-2-yl)pentanamide
CID 119337188
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591026
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156
3-amino-N-methyl-3-phenyl-N-(1-phenylbutan-2-yl)propanamide;hydrochloride
CID 119952076

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride (CID 120593580) is 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride is CCC(Cc1ccccc1)N(CC)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
The InChIKey is WNZATHIEOFWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-4-15(11-14-9-7-6-8-10-14)19(5-2)17(20)12-16(13-18)21-3;/h6-10,15-16H,4-5,11-13,18H2,1-3H3;1H.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride?
4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 120593580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).