(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide

C16H22BrN3O2 — CID 32704367

IUPAC(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O2/c17-12-6-4-5-11(9-12)14(20-16(18)22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,19,21)(H3,18,20,22)/t14-/m1/s1
InChIKeyUKKURLZBWWOFCQ-CQSZACIVSA-N
MW368.28 g/mol
LogP3.00
Rot. Bonds5

About (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide (PubChem CID 32704367) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
PubChem CID32704367
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O2/c17-12-6-4-5-11(9-12)14(20-16(18)22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,19,21)(H3,18,20,22)/t14-/m1/s1
InChIKeyUKKURLZBWWOFCQ-CQSZACIVSA-N
XLogP3.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 30284468
[(1R)-1-(3-bromophenyl)-3-[(4R)-4-methylazepan-1-yl]-3-oxopropyl]urea
CID 95021250
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
CID 24638054
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide?
The IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide (CID 32704367) is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide.
What is the SMILES notation for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide?
The canonical SMILES for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide is NC(=O)N[C@H](CC(=O)NC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide?
The InChIKey is UKKURLZBWWOFCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-12-6-4-5-11(9-12)14(20-16(18)22)10-15(21)19-13-7-2-1-3-8-13/h4-6,9,13-14H,1-3,7-8,10H2,(H,19,21)(H3,18,20,22)/t14-/m1/s1.
What are the key properties of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide?
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide has a molecular weight of 368.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide is sourced from PubChem (CID 32704367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).