3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

C22H34N4O3 — CID 86962818

IUPAC3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C22H34N4O3/c1-16(2)24-21(27)17-7-5-8-19(14-17)25-22(28)23-15-18-6-3-4-9-20(18)26-10-12-29-13-11-26/h3-4,6,9,16-17,19H,5,7-8,10-15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyZAUHTYLMKBWKEC-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.41
Rot. Bonds6

About 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide

3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 86962818) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID86962818
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(NC(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C22H34N4O3/c1-16(2)24-21(27)17-7-5-8-19(14-17)25-22(28)23-15-18-6-3-4-9-20(18)26-10-12-29-13-11-26/h3-4,6,9,16-17,19H,5,7-8,10-15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyZAUHTYLMKBWKEC-UHFFFAOYSA-N
XLogP2.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962830
1-[(2S,3S)-2-cyclopropyloxolan-3-yl]-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 124880562
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-(cyclohexylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 46631245
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
1-(2-morpholin-4-ylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113189959
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 86962818) is 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(NC(=O)NCc2ccccc2N2CCOCC2)C1.
What is the InChIKey of 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZAUHTYLMKBWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16(2)24-21(27)17-7-5-8-19(14-17)25-22(28)23-15-18-6-3-4-9-20(18)26-10-12-29-13-11-26/h3-4,6,9,16-17,19H,5,7-8,10-15H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide?
3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylphenyl)methylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 86962818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).