3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

C23H34N2O4 — CID 86962113

IUPAC3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC2CCCC(C(=O)NC(C)C)C2)cc1
InChIInChI=1S/C23H34N2O4/c1-4-14-29-20-10-8-17(9-11-20)21(26)12-13-22(27)25-19-7-5-6-18(15-19)23(28)24-16(2)3/h8-11,16,18-19H,4-7,12-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySQXRUGCZZNMOMA-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.64
Rot. Bonds10

About 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide

3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 86962113) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID86962113
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NC2CCCC(C(=O)NC(C)C)C2)cc1
InChIInChI=1S/C23H34N2O4/c1-4-14-29-20-10-8-17(9-11-20)21(26)12-13-22(27)25-19-7-5-6-18(15-19)23(28)24-16(2)3/h8-11,16,18-19H,4-7,12-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySQXRUGCZZNMOMA-UHFFFAOYSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
N-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 52517818
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 49074485
N-[4-[1-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55583981
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
3-methyl-2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]butanoic acid
CID 119348424
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
N-cyclohexyl-4-propoxybenzamide
CID 4938429
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 8740916

Frequently Asked Questions

What is the IUPAC name of 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 86962113) is 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is CCCOc1ccc(C(=O)CCC(=O)NC2CCCC(C(=O)NC(C)C)C2)cc1.
What is the InChIKey of 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SQXRUGCZZNMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-4-14-29-20-10-8-17(9-11-20)21(26)12-13-22(27)25-19-7-5-6-18(15-19)23(28)24-16(2)3/h8-11,16,18-19H,4-7,12-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide?
3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86962113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).