N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride

C16H33ClN2O2 — CID 119587975

IUPACN-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)OC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-12(2)10-14(11-17)18-16(19)13(3)20-15-8-6-4-5-7-9-15;/h12-15H,4-11,17H2,1-3H3,(H,18,19);1H
InChIKeyCJZUBRDYXSVVGG-UHFFFAOYSA-N
MW320.91 g/mol
LogP3.03
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride (PubChem CID 119587975) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
PubChem CID119587975
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)OC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-12(2)10-14(11-17)18-16(19)13(3)20-15-8-6-4-5-7-9-15;/h12-15H,4-11,17H2,1-3H3,(H,18,19);1H
InChIKeyCJZUBRDYXSVVGG-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
CID 97095706
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
CID 62806864
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
(E)-2-(2-cycloheptyloxypropanoylamino)hex-4-enoic acid
CID 120694238
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride (CID 119587975) is N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)OC1CCCCCC1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride?
The InChIKey is CJZUBRDYXSVVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-12(2)10-14(11-17)18-16(19)13(3)20-15-8-6-4-5-7-9-15;/h12-15H,4-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride is sourced from PubChem (CID 119587975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).