3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride

C18H23ClN2O — CID 119315336

IUPAC3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O.ClH/c19-14-13-18(21)20-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15;/h1-3,5-6,9-12H,4,7-8,13-14,19H2,(H,20,21);1H
InChIKeyHNMFTJDYSOIFIP-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.57
Rot. Bonds7

About 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride

3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride (PubChem CID 119315336) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
PubChem CID119315336
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O.ClH/c19-14-13-18(21)20-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15;/h1-3,5-6,9-12H,4,7-8,13-14,19H2,(H,20,21);1H
InChIKeyHNMFTJDYSOIFIP-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
1-amino-N-[4-(3-phenylpropyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119769369
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride (CID 119315336) is 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride?
The InChIKey is HNMFTJDYSOIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c19-14-13-18(21)20-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15;/h1-3,5-6,9-12H,4,7-8,13-14,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride?
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119315336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).