N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

C26H32N4O3 — CID 55862384

IUPACN-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C26H32N4O3/c31-24(21-11-7-13-23(17-21)28-25(32)20-9-2-1-3-10-20)27-18-19-8-6-12-22(16-19)29-26(33)30-14-4-5-15-30/h6-8,11-13,16-17,20H,1-5,9-10,14-15,18H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyWGCFWLCVSQBDQA-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55862384) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID55862384
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C26H32N4O3/c31-24(21-11-7-13-23(17-21)28-25(32)20-9-2-1-3-10-20)27-18-19-8-6-12-22(16-19)29-26(33)30-14-4-5-15-30/h6-8,11-13,16-17,20H,1-5,9-10,14-15,18H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyWGCFWLCVSQBDQA-UHFFFAOYSA-N
XLogP4.76
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690341
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55893148
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 55862384) is N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is WGCFWLCVSQBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-24(21-11-7-13-23(17-21)28-25(32)20-9-2-1-3-10-20)27-18-19-8-6-12-22(16-19)29-26(33)30-14-4-5-15-30/h6-8,11-13,16-17,20H,1-5,9-10,14-15,18H2,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55862384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).