3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid

C19H22N2O3 — CID 122078849

IUPAC3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(CCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c22-18(23)12-13-20-19(24)21-17-11-5-10-16(14-17)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10-11,14H,4,8-9,12-13H2,(H,22,23)(H2,20,21,24)
InChIKeySSDDMZSZJZLNDL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.46
Rot. Bonds8

About 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid

3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122078849) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
PubChem CID122078849
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cccc(CCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c22-18(23)12-13-20-19(24)21-17-11-5-10-16(14-17)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10-11,14H,4,8-9,12-13H2,(H,22,23)(H2,20,21,24)
InChIKeySSDDMZSZJZLNDL-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(3-aminopropyl)phenyl]-3-benzylurea
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3-[(3-tert-butylphenyl)carbamoylamino]propanoic acid
CID 67975455
3-[3-(2,2-difluoroethylcarbamoylamino)phenyl]propanoic acid
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2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
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7-[3-(2-chloroethylcarbamoylamino)phenyl]heptanamide
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6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
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1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
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CID 28759682

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid (CID 122078849) is 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cccc(CCCc2ccccc2)c1.
What is the InChIKey of 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is SSDDMZSZJZLNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(23)12-13-20-19(24)21-17-11-5-10-16(14-17)9-4-8-15-6-2-1-3-7-15/h1-3,5-7,10-11,14H,4,8-9,12-13H2,(H,22,23)(H2,20,21,24).
What are the key properties of 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid?
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122078849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).