phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate

C17H19NO3 — CID 61068601

IUPACphenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccccc1CC(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(12-14-8-6-7-11-16(14)20-2)18-17(19)21-15-9-4-3-5-10-15/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyRJRPHQIEJUYHES-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds5

About phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate

phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate (PubChem CID 61068601) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
PubChem CID61068601
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namephenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
SMILESCOc1ccccc1CC(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(12-14-8-6-7-11-16(14)20-2)18-17(19)21-15-9-4-3-5-10-15/h3-11,13H,12H2,1-2H3,(H,18,19)
InChIKeyRJRPHQIEJUYHES-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
CID 63307948
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate (CID 61068601) is phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate is COc1ccccc1CC(C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate?
The InChIKey is RJRPHQIEJUYHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(12-14-8-6-7-11-16(14)20-2)18-17(19)21-15-9-4-3-5-10-15/h3-11,13H,12H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate?
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 61068601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).