carbonic acid;3-phenylpropanamide

C10H13NO4 — CID 174965682

IUPACcarbonic acid;3-phenylpropanamide
SMILESNC(=O)CCc1ccccc1.O=C(O)O
InChIInChI=1S/C9H11NO.CH2O3/c10-9(11)7-6-8-4-2-1-3-5-8;2-1(3)4/h1-5H,6-7H2,(H2,10,11);(H2,2,3,4)
InChIKeySGYPLJXJTIHACZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.33
Rot. Bonds3

About carbonic acid;3-phenylpropanamide

carbonic acid;3-phenylpropanamide (PubChem CID 174965682) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is carbonic acid;3-phenylpropanamide.

Molecular Properties

Compound Namecarbonic acid;3-phenylpropanamide
PubChem CID174965682
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namecarbonic acid;3-phenylpropanamide
SMILESNC(=O)CCc1ccccc1.O=C(O)O
InChIInChI=1S/C9H11NO.CH2O3/c10-9(11)7-6-8-4-2-1-3-5-8;2-1(3)4/h1-5H,6-7H2,(H2,10,11);(H2,2,3,4)
InChIKeySGYPLJXJTIHACZ-UHFFFAOYSA-N
XLogP1.33
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze carbonic acid;3-phenylpropanamide 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

carbanide;3-phenylpropanamide;yttrium
CID 160557542
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
lanthanum;3-phenylpropanoic acid
CID 174887955
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218
2,3-dioxo-5-phenylpentanoic acid
CID 54131380
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
2-[2-[4-(3-amino-3-oxopropyl)phenyl]acetyl]benzoic acid
CID 161255029
carbamoyl 3-phenylpropanoate
CID 56614916
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
ethane;3-(4-methylphenyl)propanamide
CID 142510251
N'-benzylbutanediamide
CID 4682951

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-phenylpropanamide?
The IUPAC name of carbonic acid;3-phenylpropanamide (CID 174965682) is carbonic acid;3-phenylpropanamide.
What is the SMILES notation for carbonic acid;3-phenylpropanamide?
The canonical SMILES for carbonic acid;3-phenylpropanamide is NC(=O)CCc1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;3-phenylpropanamide?
The InChIKey is SGYPLJXJTIHACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.CH2O3/c10-9(11)7-6-8-4-2-1-3-5-8;2-1(3)4/h1-5H,6-7H2,(H2,10,11);(H2,2,3,4).
What are the key properties of carbonic acid;3-phenylpropanamide?
carbonic acid;3-phenylpropanamide has a molecular weight of 211.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-phenylpropanamide is sourced from PubChem (CID 174965682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).