[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate

C24H30N2O3 — CID 91178234

IUPAC[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)Oc2ccccc2CNC(C)CC2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(15-19-7-3-4-8-19)25-16-21-9-5-6-10-23(21)29-24(28)26-22-13-11-20(12-14-22)18(2)27/h5-6,9-14,17,19,25H,3-4,7-8,15-16H2,1-2H3,(H,26,28)
InChIKeyBTLPQUWZAPCTNE-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.56
Rot. Bonds8

About [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate

[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate (PubChem CID 91178234) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate.

Molecular Properties

Compound Name[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate
PubChem CID91178234
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)Oc2ccccc2CNC(C)CC2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17(15-19-7-3-4-8-19)25-16-21-9-5-6-10-23(21)29-24(28)26-22-13-11-20(12-14-22)18(2)27/h5-6,9-14,17,19,25H,3-4,7-8,15-16H2,1-2H3,(H,26,28)
InChIKeyBTLPQUWZAPCTNE-UHFFFAOYSA-N
XLogP5.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl] N-(4-imidazol-1-ylphenyl)carbamate
CID 154081756
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1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
methyl (2R)-2-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonylamino]propanoate
CID 151105326

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate?
The IUPAC name of [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate (CID 91178234) is [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate.
What is the SMILES notation for [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate?
The canonical SMILES for [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate is CC(=O)c1ccc(NC(=O)Oc2ccccc2CNC(C)CC2CCCC2)cc1.
What is the InChIKey of [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate?
The InChIKey is BTLPQUWZAPCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(15-19-7-3-4-8-19)25-16-21-9-5-6-10-23(21)29-24(28)26-22-13-11-20(12-14-22)18(2)27/h5-6,9-14,17,19,25H,3-4,7-8,15-16H2,1-2H3,(H,26,28).
What are the key properties of [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate?
[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate has a molecular weight of 394.52 g/mol, XLogP of 5.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate is sourced from PubChem (CID 91178234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).