4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride

C16H24Cl2N2O2 — CID 120591728

IUPAC4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-21-14(10-18)9-15(20)19-16(11-3-2-4-11)12-5-7-13(17)8-6-12;/h5-8,11,14,16H,2-4,9-10,18H2,1H3,(H,19,20);1H
InChIKeyTVQKEAAGJXBRCH-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.08
Rot. Bonds7

About 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120591728) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120591728
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-21-14(10-18)9-15(20)19-16(11-3-2-4-11)12-5-7-13(17)8-6-12;/h5-8,11,14,16H,2-4,9-10,18H2,1H3,(H,19,20);1H
InChIKeyTVQKEAAGJXBRCH-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
CID 120588649
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride (CID 120591728) is 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(c1ccc(Cl)cc1)C1CCC1.Cl.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is TVQKEAAGJXBRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-21-14(10-18)9-15(20)19-16(11-3-2-4-11)12-5-7-13(17)8-6-12;/h5-8,11,14,16H,2-4,9-10,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120591728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).