N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide

C14H22N2O2 — CID 61350677

IUPACN-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCN)C(C)C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-10(2)16(8-7-15)14(17)12-6-5-11(3)13(9-12)18-4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyPVCSMJJBODRIHU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds5

About N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide

N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide (PubChem CID 61350677) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
PubChem CID61350677
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(CCN)C(C)C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-10(2)16(8-7-15)14(17)12-6-5-11(3)13(9-12)18-4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyPVCSMJJBODRIHU-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 56781401
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
N-(2-bromoethyl)-3-fluoro-4-methoxy-N-propan-2-ylbenzamide
CID 80665485

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide (CID 61350677) is N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide is COc1cc(C(=O)N(CCN)C(C)C)ccc1C.
What is the InChIKey of N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is PVCSMJJBODRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16(8-7-15)14(17)12-6-5-11(3)13(9-12)18-4/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 61350677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).