1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate

C19H21NO4 — CID 123300594

IUPAC1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(24-15(2)21)18-10-8-16(9-11-18)12-20-19(22)23-13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyYTOFAPXGRDLALQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate

1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate (PubChem CID 123300594) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
PubChem CID123300594
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate
SMILESCC(=O)OC(C)c1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(24-15(2)21)18-10-8-16(9-11-18)12-20-19(22)23-13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyYTOFAPXGRDLALQ-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
methyl (3R)-3-acetyloxy-4-(phenylmethoxycarbonylamino)butanoate
CID 10828664
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
(2S,3R)-2,3-diacetyloxy-4-oxo-4-[2-(phenylmethoxycarbonylamino)ethylamino]butanoic acid
CID 118109484

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate?
The IUPAC name of 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate (CID 123300594) is 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate.
What is the SMILES notation for 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate?
The canonical SMILES for 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate is CC(=O)OC(C)c1ccc(CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate?
The InChIKey is YTOFAPXGRDLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(24-15(2)21)18-10-8-16(9-11-18)12-20-19(22)23-13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate?
1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate has a molecular weight of 327.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylmethoxycarbonylaminomethyl)phenyl]ethyl acetate is sourced from PubChem (CID 123300594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).