4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride

C20H27ClN2O2 — CID 120586575

IUPAC4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-24-18(15-21)14-20(23)22-13-12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15,21H2,1H3,(H,22,23);1H
InChIKeyHFRORXHRHWSGEX-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.11
Rot. Bonds9

About 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride

4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride (PubChem CID 120586575) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
PubChem CID120586575
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-24-18(15-21)14-20(23)22-13-12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15,21H2,1H3,(H,22,23);1H
InChIKeyHFRORXHRHWSGEX-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
4-amino-3-methoxy-N-(2-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 120589267
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42696880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride (CID 120586575) is 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NCCC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride?
The InChIKey is HFRORXHRHWSGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-24-18(15-21)14-20(23)22-13-12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15,21H2,1H3,(H,22,23);1H.
What are the key properties of 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120586575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).