ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate

C20H24N2O3 — CID 9155973

IUPACethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(15-8-6-14(3)7-9-15)22-19(23)16-10-12-17(13-11-16)21-20(24)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyXGYULWOXMMWQRB-GOSISDBHSA-N
MW340.42 g/mol
LogP4.44
Rot. Bonds6

About ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate (PubChem CID 9155973) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
PubChem CID9155973
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-18(15-8-6-14(3)7-9-15)22-19(23)16-10-12-17(13-11-16)21-20(24)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyXGYULWOXMMWQRB-GOSISDBHSA-N
XLogP4.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
[(2R)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938442
[(2S)-2-[[4-(ethoxycarbonylamino)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938445
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate (CID 9155973) is ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate?
The InChIKey is XGYULWOXMMWQRB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-18(15-8-6-14(3)7-9-15)22-19(23)16-10-12-17(13-11-16)21-20(24)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9155973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).