N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide

C22H29N3O2 — CID 17404060

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H29N3O2/c26-21(19-7-6-8-20(17-19)24-11-4-5-12-24)23-18-22(9-2-1-3-10-22)25-13-15-27-16-14-25/h4-8,11-12,17H,1-3,9-10,13-16,18H2,(H,23,26)
InChIKeyMWDJVNIKSKOSMJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.24
Rot. Bonds5

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide (PubChem CID 17404060) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
PubChem CID17404060
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C22H29N3O2/c26-21(19-7-6-8-20(17-19)24-11-4-5-12-24)23-18-22(9-2-1-3-10-22)25-13-15-27-16-14-25/h4-8,11-12,17H,1-3,9-10,13-16,18H2,(H,23,26)
InChIKeyMWDJVNIKSKOSMJ-UHFFFAOYSA-N
XLogP3.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide 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

3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
3-methyl-N-[2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111004431
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide (CID 17404060) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is MWDJVNIKSKOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21(19-7-6-8-20(17-19)24-11-4-5-12-24)23-18-22(9-2-1-3-10-22)25-13-15-27-16-14-25/h4-8,11-12,17H,1-3,9-10,13-16,18H2,(H,23,26).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 17404060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).