[4-[(propanoylamino)methyl]phenyl] carbamate

C11H14N2O3 — CID 175552226

IUPAC[4-[(propanoylamino)methyl]phenyl] carbamate
SMILESCCC(=O)NCc1ccc(OC(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-2-10(14)13-7-8-3-5-9(6-4-8)16-11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXTLOVUBJAHRYQN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.17
Rot. Bonds4

About [4-[(propanoylamino)methyl]phenyl] carbamate

[4-[(propanoylamino)methyl]phenyl] carbamate (PubChem CID 175552226) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [4-[(propanoylamino)methyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[(propanoylamino)methyl]phenyl] carbamate
PubChem CID175552226
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[4-[(propanoylamino)methyl]phenyl] carbamate
SMILESCCC(=O)NCc1ccc(OC(N)=O)cc1
InChIInChI=1S/C11H14N2O3/c1-2-10(14)13-7-8-3-5-9(6-4-8)16-11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXTLOVUBJAHRYQN-UHFFFAOYSA-N
XLogP1.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl) carbamate
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[4-(acetamidomethyl)phenyl] acetate
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[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate
CID 175604906
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-[(4-aminooxyphenyl)methyl]pentanamide
CID 23579213
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
N'-[(4-methoxyphenyl)methyl]-2-methylidenebutanediamide
CID 22185292
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N'-[(4-ethoxyphenyl)methyl]oxamide
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2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089

Frequently Asked Questions

What is the IUPAC name of [4-[(propanoylamino)methyl]phenyl] carbamate?
The IUPAC name of [4-[(propanoylamino)methyl]phenyl] carbamate (CID 175552226) is [4-[(propanoylamino)methyl]phenyl] carbamate.
What is the SMILES notation for [4-[(propanoylamino)methyl]phenyl] carbamate?
The canonical SMILES for [4-[(propanoylamino)methyl]phenyl] carbamate is CCC(=O)NCc1ccc(OC(N)=O)cc1.
What is the InChIKey of [4-[(propanoylamino)methyl]phenyl] carbamate?
The InChIKey is XTLOVUBJAHRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-10(14)13-7-8-3-5-9(6-4-8)16-11(12)15/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of [4-[(propanoylamino)methyl]phenyl] carbamate?
[4-[(propanoylamino)methyl]phenyl] carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(propanoylamino)methyl]phenyl] carbamate is sourced from PubChem (CID 175552226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).