N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide

C15H24N2O2 — CID 119745540

IUPACN-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCCOc1cccc(C(C)NC(=O)CCCNC)c1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-8-5-7-13(11-14)12(2)17-15(18)9-6-10-16-3/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyNACJMDWBNHRICB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds8

About N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide

N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 119745540) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
PubChem CID119745540
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
SMILESCCOc1cccc(C(C)NC(=O)CCCNC)c1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-8-5-7-13(11-14)12(2)17-15(18)9-6-10-16-3/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18)
InChIKeyNACJMDWBNHRICB-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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

4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide (CID 119745540) is N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide is CCOc1cccc(C(C)NC(=O)CCCNC)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is NACJMDWBNHRICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-8-5-7-13(11-14)12(2)17-15(18)9-6-10-16-3/h5,7-8,11-12,16H,4,6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide?
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119745540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).