4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride

C17H27ClN2O — CID 119332710

IUPAC4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)CCCN.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(16-9-3-2-4-10-16)19(13-15-7-5-8-15)17(20)11-6-12-18;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H
InChIKeyPYFGTSDXIHRNKG-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.54
Rot. Bonds7

About 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride

4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride (PubChem CID 119332710) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
PubChem CID119332710
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)CCCN.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-14(16-9-3-2-4-10-16)19(13-15-7-5-8-15)17(20)11-6-12-18;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H
InChIKeyPYFGTSDXIHRNKG-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 95635301
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
benzyl 3-[[1-phenylethyl(propanoyl)amino]methyl]piperidine-1-carboxylate
CID 59807157

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride (CID 119332710) is 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride is CC(c1ccccc1)N(CC1CCC1)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride?
The InChIKey is PYFGTSDXIHRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-14(16-9-3-2-4-10-16)19(13-15-7-5-8-15)17(20)11-6-12-18;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H.
What are the key properties of 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride?
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119332710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).