4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide

C15H25N3O — CID 63358537

IUPAC4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C15H25N3O/c1-4-6-7-11(3)18-14-10-12(8-9-13(14)16)15(19)17-5-2/h8-11,18H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyNZCLTGANZBTSAH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.01
Rot. Bonds7

About 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide

4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide (PubChem CID 63358537) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
PubChem CID63358537
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
SMILESCCCCC(C)Nc1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C15H25N3O/c1-4-6-7-11(3)18-14-10-12(8-9-13(14)16)15(19)17-5-2/h8-11,18H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyNZCLTGANZBTSAH-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
CID 63360832
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 63361049
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
ethyl 4-amino-3-(4-methoxybutan-2-ylamino)benzoate
CID 82796647

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide (CID 63358537) is 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide is CCCCC(C)Nc1cc(C(=O)NCC)ccc1N.
What is the InChIKey of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide?
The InChIKey is NZCLTGANZBTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-6-7-11(3)18-14-10-12(8-9-13(14)16)15(19)17-5-2/h8-11,18H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide?
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide has a molecular weight of 263.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide is sourced from PubChem (CID 63358537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).