2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate

C19H29N3O3 — CID 60586572

IUPAC2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NC(=O)NC2CCCCC2C)c1
InChIInChI=1S/C19H29N3O3/c1-13(2)12-25-19(24)21-16-9-6-8-15(11-16)20-18(23)22-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyCAMRTUJDNMATQT-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.59
Rot. Bonds5

About 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate

2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate (PubChem CID 60586572) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
PubChem CID60586572
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1cccc(NC(=O)NC2CCCCC2C)c1
InChIInChI=1S/C19H29N3O3/c1-13(2)12-25-19(24)21-16-9-6-8-15(11-16)20-18(23)22-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyCAMRTUJDNMATQT-UHFFFAOYSA-N
XLogP4.59
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 95291754
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
[3-(2-methylpropoxycarbonylamino)phenyl] N-cyclohexyl-N-methylcarbamate
CID 70477318
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate (CID 60586572) is 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate is CC(C)COC(=O)Nc1cccc(NC(=O)NC2CCCCC2C)c1.
What is the InChIKey of 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate?
The InChIKey is CAMRTUJDNMATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)12-25-19(24)21-16-9-6-8-15(11-16)20-18(23)22-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3,(H,21,24)(H2,20,22,23).
What are the key properties of 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate?
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 60586572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).