N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide

C14H20N2O2 — CID 43136784

IUPACN-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-7-3-11(4-8-13)14(17)16(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3
InChIKeyKLAQGXMIOBLADB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide

N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide (PubChem CID 43136784) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
PubChem CID43136784
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-7-3-11(4-8-13)14(17)16(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3
InChIKeyKLAQGXMIOBLADB-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559994

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide (CID 43136784) is N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide is COc1ccc(C(=O)N(CCCN)C2CC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide?
The InChIKey is KLAQGXMIOBLADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-7-3-11(4-8-13)14(17)16(10-2-9-15)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide?
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.65, 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-cyclopropyl-4-methoxybenzamide is sourced from PubChem (CID 43136784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).