4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide

C15H25N3O — CID 103720708

IUPAC4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
SMILESCCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyGTMFTIOHXZNVQQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.61
Rot. Bonds9

About 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide (PubChem CID 103720708) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
PubChem CID103720708
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
SMILESCCCN(CC)CCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19)
InChIKeyGTMFTIOHXZNVQQ-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.61
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

4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720680
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
CID 113258300
4-[4-[2-(diethylamino)ethylamino]butoxy]benzamide
CID 19869411
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide (CID 103720708) is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide is CCCN(CC)CCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
The InChIKey is GTMFTIOHXZNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-10-18(4-2)11-9-17-12-13-5-7-14(8-6-13)15(16)19/h5-8,17H,3-4,9-12H2,1-2H3,(H2,16,19).
What are the key properties of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide?
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide is sourced from PubChem (CID 103720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).