(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide

C17H32N2O3 — CID 97095706

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-5-12(2)18-16(20)13(3)19-17(21)14(4)22-15-10-8-6-7-9-11-15/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13+,14+/m0/s1
InChIKeyQJDZKGPFIHRRAF-BFHYXJOUSA-N
MW312.45 g/mol
LogP2.53
Rot. Bonds7

About (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide

(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide (PubChem CID 97095706) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
PubChem CID97095706
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1
InChIInChI=1S/C17H32N2O3/c1-5-12(2)18-16(20)13(3)19-17(21)14(4)22-15-10-8-6-7-9-11-15/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13+,14+/m0/s1
InChIKeyQJDZKGPFIHRRAF-BFHYXJOUSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide with MolForge

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Related Compounds

N-butan-2-yl-2-piperidin-3-yloxypropanamide
CID 43117602
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
(2S)-2-(2-cycloheptyloxypropanoylamino)-4-methylpentanoic acid
CID 119360863
N-(3-aminobutyl)-2-cycloheptyloxypropanamide
CID 119498510
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
(2R)-2-cycloheptyloxy-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]propanamide
CID 97096257
2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
CID 62806864
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014350
(E)-2-(2-cycloheptyloxypropanoylamino)hex-4-enoic acid
CID 120694238
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
CID 99104158

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide (CID 97095706) is (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide is CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C)OC1CCCCCC1.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide?
The InChIKey is QJDZKGPFIHRRAF-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-12(2)18-16(20)13(3)19-17(21)14(4)22-15-10-8-6-7-9-11-15/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13+,14+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide?
(2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide has a molecular weight of 312.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-[[(2R)-2-cycloheptyloxypropanoyl]amino]propanamide is sourced from PubChem (CID 97095706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).