3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid

C15H22N2O3 — CID 71019277

IUPAC3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
SMILESCC(C)c1ccc(CC(=O)NCCCNC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)13-6-4-12(5-7-13)10-14(18)16-8-3-9-17-15(19)20/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySEMRRLPSGVYWJC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.13
Rot. Bonds7

About 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid

3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid (PubChem CID 71019277) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid.

Molecular Properties

Compound Name3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
PubChem CID71019277
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
SMILESCC(C)c1ccc(CC(=O)NCCCNC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)13-6-4-12(5-7-13)10-14(18)16-8-3-9-17-15(19)20/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeySEMRRLPSGVYWJC-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
2-[4-(1-aminoethyl)phenyl]-N-(3-aminopropyl)acetamide
CID 123947658
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid?
The IUPAC name of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid (CID 71019277) is 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid.
What is the SMILES notation for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid?
The canonical SMILES for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid is CC(C)c1ccc(CC(=O)NCCCNC(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid?
The InChIKey is SEMRRLPSGVYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)13-6-4-12(5-7-13)10-14(18)16-8-3-9-17-15(19)20/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid?
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid has a molecular weight of 278.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid is sourced from PubChem (CID 71019277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).