[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate

C29H39NO5 — CID 97027974

IUPAC[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)N[C@H](CCOC(=O)c2cccc(OCCC)c2)C2CCCCC2)c1
InChIInChI=1S/C29H39NO5/c1-3-17-33-25-14-8-12-23(20-25)28(31)30-27(22-10-6-5-7-11-22)16-19-35-29(32)24-13-9-15-26(21-24)34-18-4-2/h8-9,12-15,20-22,27H,3-7,10-11,16-19H2,1-2H3,(H,30,31)/t27-/m1/s1
InChIKeyVPBOIQQKPKXGPK-HHHXNRCGSA-N
MW481.63 g/mol
LogP6.19
Rot. Bonds13

About [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate

[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate (PubChem CID 97027974) has the molecular formula C29H39NO5 and a molecular weight of 481.63 g/mol. Its IUPAC name is [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate.

Molecular Properties

Compound Name[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate
PubChem CID97027974
Molecular FormulaC29H39NO5
Molecular Weight481.63 g/mol
Exact Mass481.28
IUPAC Name[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)N[C@H](CCOC(=O)c2cccc(OCCC)c2)C2CCCCC2)c1
InChIInChI=1S/C29H39NO5/c1-3-17-33-25-14-8-12-23(20-25)28(31)30-27(22-10-6-5-7-11-22)16-19-35-29(32)24-13-9-15-26(21-24)34-18-4-2/h8-9,12-15,20-22,27H,3-7,10-11,16-19H2,1-2H3,(H,30,31)/t27-/m1/s1
InChIKeyVPBOIQQKPKXGPK-HHHXNRCGSA-N
XLogP6.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-propoxybenzamide
CID 77039305
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
2-chloro-N-cyclohexyl-5-[(3-propoxybenzoyl)amino]benzamide
CID 17188531
propan-2-yl 3-propoxybenzoate
CID 60979538
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate?
The IUPAC name of [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate (CID 97027974) is [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate.
What is the SMILES notation for [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate?
The canonical SMILES for [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate is CCCOc1cccc(C(=O)N[C@H](CCOC(=O)c2cccc(OCCC)c2)C2CCCCC2)c1.
What is the InChIKey of [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate?
The InChIKey is VPBOIQQKPKXGPK-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H39NO5/c1-3-17-33-25-14-8-12-23(20-25)28(31)30-27(22-10-6-5-7-11-22)16-19-35-29(32)24-13-9-15-26(21-24)34-18-4-2/h8-9,12-15,20-22,27H,3-7,10-11,16-19H2,1-2H3,(H,30,31)/t27-/m1/s1.
What are the key properties of [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate?
[(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate has a molecular weight of 481.63 g/mol, XLogP of 6.19, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-cyclohexyl-3-[(3-propoxybenzoyl)amino]propyl] 3-propoxybenzoate is sourced from PubChem (CID 97027974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).