3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide

C23H29N3O3 — CID 43005467

IUPAC3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
SMILESCC1CCCCC1NC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-16-8-5-6-13-20(16)25-22(27)15-21(26-23(24)28)17-9-7-12-19(14-17)29-18-10-3-2-4-11-18/h2-4,7,9-12,14,16,20-21H,5-6,8,13,15H2,1H3,(H,25,27)(H3,24,26,28)
InChIKeyMYFVAEDAMHCPNE-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.27
Rot. Bonds7

About 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide

3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 43005467) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID43005467
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
SMILESCC1CCCCC1NC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-16-8-5-6-13-20(16)25-22(27)15-21(26-23(24)28)17-9-7-12-19(14-17)29-18-10-3-2-4-11-18/h2-4,7,9-12,14,16,20-21H,5-6,8,13,15H2,1H3,(H,25,27)(H3,24,26,28)
InChIKeyMYFVAEDAMHCPNE-UHFFFAOYSA-N
XLogP4.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide (CID 43005467) is 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide is CC1CCCCC1NC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is MYFVAEDAMHCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-8-5-6-13-20(16)25-22(27)15-21(26-23(24)28)17-9-7-12-19(14-17)29-18-10-3-2-4-11-18/h2-4,7,9-12,14,16,20-21H,5-6,8,13,15H2,1H3,(H,25,27)(H3,24,26,28).
What are the key properties of 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide?
3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 43005467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).