N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide

C14H22N2O2 — CID 43136698

IUPACN-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(10-6-9-15)14(17)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyXCBJTCMMGUYAAS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds6

About N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide

N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 43136698) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
PubChem CID43136698
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCN)C(C)C
InChIInChI=1S/C14H22N2O2/c1-11(2)16(10-6-9-15)14(17)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10,15H2,1-3H3
InChIKeyXCBJTCMMGUYAAS-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
5-amino-1-(2-methoxyphenyl)-2-methylpentan-1-one
CID 116613631
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide (CID 43136698) is N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide is COc1ccccc1C(=O)N(CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is XCBJTCMMGUYAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16(10-6-9-15)14(17)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)-2-methoxy-N-propan-2-ylbenzamide?
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 43136698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).