N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide

C19H28N2O2 — CID 124853429

IUPACN-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)[C@@H](C)c2ccc(CC)cc2)CCCC1
InChIInChI=1S/C19H28N2O2/c1-4-15-8-10-16(11-9-15)14(3)17(22)21-19(12-6-7-13-19)18(23)20-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyVWZHWBMDDAUNNH-AWEZNQCLSA-N
MW316.45 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide

N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide (PubChem CID 124853429) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide
PubChem CID124853429
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)[C@@H](C)c2ccc(CC)cc2)CCCC1
InChIInChI=1S/C19H28N2O2/c1-4-15-8-10-16(11-9-15)14(3)17(22)21-19(12-6-7-13-19)18(23)20-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyVWZHWBMDDAUNNH-AWEZNQCLSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide (CID 124853429) is N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide is CCNC(=O)C1(NC(=O)[C@@H](C)c2ccc(CC)cc2)CCCC1.
What is the InChIKey of N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide?
The InChIKey is VWZHWBMDDAUNNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-15-8-10-16(11-9-15)14(3)17(22)21-19(12-6-7-13-19)18(23)20-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide?
N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 124853429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).