N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide

C14H22N2O2 — CID 28767707

IUPACN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1N(CCCN)C(=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)14(17)16(10-6-9-15)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyJPSWMGPBPNNJSJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds6

About N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 28767707) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID28767707
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1N(CCCN)C(=O)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)14(17)16(10-6-9-15)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyJPSWMGPBPNNJSJ-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
CID 43136196
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
CID 43318992
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
CID 174379543
N-(3-aminopropyl)-N-(2-methoxyphenyl)oxane-3-carboxamide
CID 63011480
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid
CID 82320984
N-(5-hydroxypentyl)-N-(2-methoxyphenyl)propanamide
CID 70548251

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide (CID 28767707) is N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1N(CCCN)C(=O)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is JPSWMGPBPNNJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)14(17)16(10-6-9-15)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide?
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 28767707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).