N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide

C15H22N2O3 — CID 43596570

IUPACN-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCNC2CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-12-6-7-13(14(10-12)20-2)15(18)17-9-3-8-16-11-4-5-11/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyNMKSZTKEWQFIQP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide

N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide (PubChem CID 43596570) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
PubChem CID43596570
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCNC2CC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-12-6-7-13(14(10-12)20-2)15(18)17-9-3-8-16-11-4-5-11/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyNMKSZTKEWQFIQP-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
N-[2-(cycloheptylsulfamoyl)ethyl]-2,4-dimethoxybenzamide
CID 7618647
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide (CID 43596570) is N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCNC2CC2)c(OC)c1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide?
The InChIKey is NMKSZTKEWQFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-12-6-7-13(14(10-12)20-2)15(18)17-9-3-8-16-11-4-5-11/h6-7,10-11,16H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide?
N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 43596570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).