N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide

C15H22N2O2 — CID 119582823

IUPACN-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(9-16)17(2)15(18)13-5-7-14(8-6-13)19-10-12-3-4-12/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyYWSDWCWFDORKCH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds6

About N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide

N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide (PubChem CID 119582823) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
PubChem CID119582823
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
SMILESCC(CN)N(C)C(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(9-16)17(2)15(18)13-5-7-14(8-6-13)19-10-12-3-4-12/h5-8,11-12H,3-4,9-10,16H2,1-2H3
InChIKeyYWSDWCWFDORKCH-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide (CID 119582823) is N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide is CC(CN)N(C)C(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide?
The InChIKey is YWSDWCWFDORKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(9-16)17(2)15(18)13-5-7-14(8-6-13)19-10-12-3-4-12/h5-8,11-12H,3-4,9-10,16H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide?
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide has a molecular weight of 262.35 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-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide is sourced from PubChem (CID 119582823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).