(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide

C15H24N2O2 — CID 99816117

IUPAC(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-9-16-10-11-17-15(18)12(2)13-5-7-14(19-3)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyBHGKPWLQYCDCBR-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds8

About (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide

(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide (PubChem CID 99816117) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
PubChem CID99816117
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-4-9-16-10-11-17-15(18)12(2)13-5-7-14(19-3)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyBHGKPWLQYCDCBR-LBPRGKRZSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide
CID 111116005
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
CID 70291925
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
2-chloro-2-(6-methoxynaphthalen-2-yl)-N-propylacetamide
CID 62226439
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2S)-2-[2-(4-methoxyphenyl)propanoylamino]hexanoic acid
CID 120614449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide (CID 99816117) is (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide is CCCNCCNC(=O)[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide?
The InChIKey is BHGKPWLQYCDCBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-9-16-10-11-17-15(18)12(2)13-5-7-14(19-3)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide?
(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 99816117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).