N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide

C16H26N2O2 — CID 112724062

IUPACN-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-13-7-4-5-8-15(13)9-11-17-14(2)16(19)18-10-6-12-20-3/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,18,19)
InChIKeyYXYJYUHNGJDANP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds9

About N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide

N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide (PubChem CID 112724062) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
PubChem CID112724062
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
SMILESCOCCCNC(=O)C(C)NCCc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-13-7-4-5-8-15(13)9-11-17-14(2)16(19)18-10-6-12-20-3/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,18,19)
InChIKeyYXYJYUHNGJDANP-UHFFFAOYSA-N
XLogP1.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
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-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 103604200
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
CID 107804570
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide (CID 112724062) is N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide is COCCCNC(=O)C(C)NCCc1ccccc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide?
The InChIKey is YXYJYUHNGJDANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-7-4-5-8-15(13)9-11-17-14(2)16(19)18-10-6-12-20-3/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide?
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 112724062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).