methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate

C13H19NO2 — CID 143937695

IUPACmethyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
SMILESCC[C@H](c1ccccc1)N(CC)C(=O)OC
InChIInChI=1S/C13H19NO2/c1-4-12(11-9-7-6-8-10-11)14(5-2)13(15)16-3/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyDETJWRZDGDXVFH-GFCCVEGCSA-N
MW221.30 g/mol
LogP3.23
Rot. Bonds4

About methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate

methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate (PubChem CID 143937695) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
PubChem CID143937695
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
SMILESCC[C@H](c1ccccc1)N(CC)C(=O)OC
InChIInChI=1S/C13H19NO2/c1-4-12(11-9-7-6-8-10-11)14(5-2)13(15)16-3/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1
InChIKeyDETJWRZDGDXVFH-GFCCVEGCSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272
methyl 3-[benzyl(methoxycarbonyl)amino]-3-phenylpropanoate
CID 44668557
N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
CID 134926804
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
2-[methyl(1-phenylpropyl)amino]butanoic acid
CID 65067637
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
(2S)-N-ethyl-N-[(1S)-1-phenylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95592132
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
N,N-bis(1-phenylpropyl)formamide
CID 88549986
2-(N-methoxycarbonylanilino)butanoic acid
CID 70150820
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate?
The IUPAC name of methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate (CID 143937695) is methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate.
What is the SMILES notation for methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate?
The canonical SMILES for methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate is CC[C@H](c1ccccc1)N(CC)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate?
The InChIKey is DETJWRZDGDXVFH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-12(11-9-7-6-8-10-11)14(5-2)13(15)16-3/h6-10,12H,4-5H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate?
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate is sourced from PubChem (CID 143937695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).