(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride

C26H39ClN2O2 — CID 67871370

IUPAC(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
SMILESCCCCCN(CCCCC)C(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C26H38N2O2.ClH/c1-3-5-10-18-28(19-11-6-4-2)26(29)25(27)20-22-14-16-24(17-15-22)30-21-23-12-8-7-9-13-23;/h7-9,12-17,25H,3-6,10-11,18-21,27H2,1-2H3;1H/t25-;/m1./s1
InChIKeyRYQNYYMRMDJSRK-VQIWEWKSSA-N
MW447.06 g/mol
LogP5.77
Rot. Bonds14

About (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride

(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride (PubChem CID 67871370) has the molecular formula C26H39ClN2O2 and a molecular weight of 447.06 g/mol. Its IUPAC name is (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
PubChem CID67871370
Molecular FormulaC26H39ClN2O2
Molecular Weight447.06 g/mol
Exact Mass446.27
IUPAC Name(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
SMILESCCCCCN(CCCCC)C(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C26H38N2O2.ClH/c1-3-5-10-18-28(19-11-6-4-2)26(29)25(27)20-22-14-16-24(17-15-22)30-21-23-12-8-7-9-13-23;/h7-9,12-17,25H,3-6,10-11,18-21,27H2,1-2H3;1H/t25-;/m1./s1
InChIKeyRYQNYYMRMDJSRK-VQIWEWKSSA-N
XLogP5.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.06
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-N-[(2R)-1-(dihexylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 10580113
(2R)-2-[[(2R)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-N-[(2S)-1-(dihexylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 57084884
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
ethyl (2R)-2-benzyl-3-(dipentylamino)-3-oxopropanoate
CID 7438124
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
(2S)-2-[[(2S)-2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-N-[(2S)-1-(dibutylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 10769809
(2S)-2-amino-N-[2,3-di(tetradecoxy)propyl]-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 134231569
(2R)-2-ethoxy-3-[4-[2-[heptyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]propanoic acid
CID 12001958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride (CID 67871370) is (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride is CCCCCN(CCCCC)C(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The InChIKey is RYQNYYMRMDJSRK-VQIWEWKSSA-N. The full InChI is InChI=1S/C26H38N2O2.ClH/c1-3-5-10-18-28(19-11-6-4-2)26(29)25(27)20-22-14-16-24(17-15-22)30-21-23-12-8-7-9-13-23;/h7-9,12-17,25H,3-6,10-11,18-21,27H2,1-2H3;1H/t25-;/m1./s1.
What are the key properties of (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride has a molecular weight of 447.06 g/mol, XLogP of 5.77, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 67871370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).