3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C21H38N4O3 — CID 18152212

IUPAC3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H38N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h18H,1-17H2,(H,23,26)(H2,22,24,27)
InChIKeyHPADXRCVZFCHBS-UHFFFAOYSA-N
MW394.56 g/mol
LogP2.16
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 18152212) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID18152212
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H38N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h18H,1-17H2,(H,23,26)(H2,22,24,27)
InChIKeyHPADXRCVZFCHBS-UHFFFAOYSA-N
XLogP2.16
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide 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

1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide
CID 45205353
1-Cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 1444523
1-(cyclohexylcarbamoylamino)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230436
N-[1-[[(3S)-1,2-dioxo-1-[(2-oxocyclohexyl)amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 9870301
N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 15490895
N-[1-[[1,2-dioxo-1-(propan-2-ylamino)heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961041
N-[1-[[1,2-dioxo-1-(pentan-3-ylamino)heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961050
N-[1-[[1-[[2-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961064
N-[1-[[1-(dimethylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961083
N-[1-[[1-(cyclohexylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961085
N-[1-[[1-(methylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 17961087

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 18152212) is 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is O=C(CCNC(=O)NC1CCCCC1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is HPADXRCVZFCHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c26-19(9-12-22-20(27)24-18-7-3-1-4-8-18)23-17-21(10-5-2-6-11-21)25-13-15-28-16-14-25/h18H,1-17H2,(H,23,26)(H2,22,24,27).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 394.56 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 18152212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).