3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C22H33N3O2 — CID 16614862

IUPAC3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H33N3O2/c1-16(18-12-11-17-7-5-6-8-19(17)15-18)24-21(26)13-14-23-22(27)25-20-9-3-2-4-10-20/h11-12,15-16,20H,2-10,13-14H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyRNWXOSLVSANNDZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.76
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 16614862) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
PubChem CID16614862
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H33N3O2/c1-16(18-12-11-17-7-5-6-8-19(17)15-18)24-21(26)13-14-23-22(27)25-20-9-3-2-4-10-20/h11-12,15-16,20H,2-10,13-14H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyRNWXOSLVSANNDZ-UHFFFAOYSA-N
XLogP3.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 18146670
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 16614862) is 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is CC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The InChIKey is RNWXOSLVSANNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(18-12-11-17-7-5-6-8-19(17)15-18)24-21(26)13-14-23-22(27)25-20-9-3-2-4-10-20/h11-12,15-16,20H,2-10,13-14H2,1H3,(H,24,26)(H2,23,25,27).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 16614862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).