3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide

C20H31N3O2 — CID 25469562

IUPAC3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-3-16-9-11-17(12-10-16)15(2)22-19(24)13-14-21-20(25)23-18-7-5-4-6-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,22,24)(H2,21,23,25)/t15-/m0/s1
InChIKeyMSSTZIBBMQVRFV-HNNXBMFYSA-N
MW345.49 g/mol
LogP3.45
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 25469562) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
PubChem CID25469562
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)CCNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-3-16-9-11-17(12-10-16)15(2)22-19(24)13-14-21-20(25)23-18-7-5-4-6-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,22,24)(H2,21,23,25)/t15-/m0/s1
InChIKeyMSSTZIBBMQVRFV-HNNXBMFYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 16614862
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide (CID 25469562) is 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc([C@H](C)NC(=O)CCNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is MSSTZIBBMQVRFV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-16-9-11-17(12-10-16)15(2)22-19(24)13-14-21-20(25)23-18-7-5-4-6-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,22,24)(H2,21,23,25)/t15-/m0/s1.
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 25469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).