N-[3-(diethylamino)propyl]-2-(propylamino)benzamide

C17H29N3O — CID 62165335

IUPACN-[3-(diethylamino)propyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCCN(CC)CC
InChIInChI=1S/C17H29N3O/c1-4-12-18-16-11-8-7-10-15(16)17(21)19-13-9-14-20(5-2)6-3/h7-8,10-11,18H,4-6,9,12-14H2,1-3H3,(H,19,21)
InChIKeyZZXOGFJWJTZXKV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.97
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(propylamino)benzamide

N-[3-(diethylamino)propyl]-2-(propylamino)benzamide (PubChem CID 62165335) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(propylamino)benzamide
PubChem CID62165335
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[3-(diethylamino)propyl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCCN(CC)CC
InChIInChI=1S/C17H29N3O/c1-4-12-18-16-11-8-7-10-15(16)17(21)19-13-9-14-20(5-2)6-3/h7-8,10-11,18H,4-6,9,12-14H2,1-3H3,(H,19,21)
InChIKeyZZXOGFJWJTZXKV-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
CID 163509812
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
N-butyl-2-(prop-2-enylamino)benzamide
CID 71540981
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(propylamino)benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(propylamino)benzamide (CID 62165335) is N-[3-(diethylamino)propyl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(propylamino)benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(propylamino)benzamide?
The InChIKey is ZZXOGFJWJTZXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-12-18-16-11-8-7-10-15(16)17(21)19-13-9-14-20(5-2)6-3/h7-8,10-11,18H,4-6,9,12-14H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-2-(propylamino)benzamide?
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(propylamino)benzamide is sourced from PubChem (CID 62165335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).