N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide

C15H25N3O2 — CID 61420595

IUPACN-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCOc1cccc(CN(C)CC(=O)N(C)CCCN)c1
InChIInChI=1S/C15H25N3O2/c1-17(12-15(19)18(2)9-5-8-16)11-13-6-4-7-14(10-13)20-3/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyYOXYIJZNXBRQBH-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.93
Rot. Bonds8

About N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide

N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 61420595) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
PubChem CID61420595
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
SMILESCOc1cccc(CN(C)CC(=O)N(C)CCCN)c1
InChIInChI=1S/C15H25N3O2/c1-17(12-15(19)18(2)9-5-8-16)11-13-6-4-7-14(10-13)20-3/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3
InChIKeyYOXYIJZNXBRQBH-UHFFFAOYSA-N
XLogP0.93
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 78787985
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 78894500
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8788835
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide (CID 61420595) is N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide is COc1cccc(CN(C)CC(=O)N(C)CCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is YOXYIJZNXBRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(12-15(19)18(2)9-5-8-16)11-13-6-4-7-14(10-13)20-3/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide?
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 279.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 61420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).