2-(4-propanoylanilino)ethyl carbamate

C12H16N2O3 — CID 114066714

IUPAC2-(4-propanoylanilino)ethyl carbamate
SMILESCCC(=O)c1ccc(NCCOC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-2-11(15)9-3-5-10(6-4-9)14-7-8-17-12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16)
InChIKeyNFIWGPKUSVTPIR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-propanoylanilino)ethyl carbamate

2-(4-propanoylanilino)ethyl carbamate (PubChem CID 114066714) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-propanoylanilino)ethyl carbamate.

Molecular Properties

Compound Name2-(4-propanoylanilino)ethyl carbamate
PubChem CID114066714
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(4-propanoylanilino)ethyl carbamate
SMILESCCC(=O)c1ccc(NCCOC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-2-11(15)9-3-5-10(6-4-9)14-7-8-17-12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16)
InChIKeyNFIWGPKUSVTPIR-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
(4-propanoylphenyl)carbamic acid
CID 122623771
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
CID 106105494

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylanilino)ethyl carbamate?
The IUPAC name of 2-(4-propanoylanilino)ethyl carbamate (CID 114066714) is 2-(4-propanoylanilino)ethyl carbamate.
What is the SMILES notation for 2-(4-propanoylanilino)ethyl carbamate?
The canonical SMILES for 2-(4-propanoylanilino)ethyl carbamate is CCC(=O)c1ccc(NCCOC(N)=O)cc1.
What is the InChIKey of 2-(4-propanoylanilino)ethyl carbamate?
The InChIKey is NFIWGPKUSVTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-11(15)9-3-5-10(6-4-9)14-7-8-17-12(13)16/h3-6,14H,2,7-8H2,1H3,(H2,13,16).
What are the key properties of 2-(4-propanoylanilino)ethyl carbamate?
2-(4-propanoylanilino)ethyl carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylanilino)ethyl carbamate is sourced from PubChem (CID 114066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).