4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride

C15H25ClN2O2 — CID 120560791

IUPAC4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)10-5-12(2)16)11-13-6-8-14(19-3)9-7-13;/h6-9,12H,4-5,10-11,16H2,1-3H3;1H
InChIKeyPMUBGEHNNJSDME-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.59
Rot. Bonds7

About 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride (PubChem CID 120560791) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
PubChem CID120560791
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CCC(C)N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)10-5-12(2)16)11-13-6-8-14(19-3)9-7-13;/h6-9,12H,4-5,10-11,16H2,1-3H3;1H
InChIKeyPMUBGEHNNJSDME-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 93372926
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 64678742
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
(2R)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 104907794
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]pentanamide;dihydrochloride
CID 120565080

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride (CID 120560791) is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride is CCN(Cc1ccc(OC)cc1)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride?
The InChIKey is PMUBGEHNNJSDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)10-5-12(2)16)11-13-6-8-14(19-3)9-7-13;/h6-9,12H,4-5,10-11,16H2,1-3H3;1H.
What are the key properties of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride?
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).