N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide

C23H33N3O4 — CID 121062677

IUPACN-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C23H33N3O4/c27-21(13-8-17-5-2-1-3-6-17)26-19-11-9-18(10-12-19)22(28)24-14-15-25-23(29)20-7-4-16-30-20/h9-12,17,20H,1-8,13-16H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeySOBHAKCXRKOEAG-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.01
Rot. Bonds9

About N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062677) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062677
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C23H33N3O4/c27-21(13-8-17-5-2-1-3-6-17)26-19-11-9-18(10-12-19)22(28)24-14-15-25-23(29)20-7-4-16-30-20/h9-12,17,20H,1-8,13-16H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeySOBHAKCXRKOEAG-UHFFFAOYSA-N
XLogP3.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 46803503
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062677) is N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide is O=C(CCC1CCCCC1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is SOBHAKCXRKOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c27-21(13-8-17-5-2-1-3-6-17)26-19-11-9-18(10-12-19)22(28)24-14-15-25-23(29)20-7-4-16-30-20/h9-12,17,20H,1-8,13-16H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).