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

C15H25N3O — CID 55189478

IUPAC4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)CC(C)C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(9-12)18-11(4)8-10(2)3/h6-7,9-11,18H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyXVMSONYKDGFRCU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds6

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

4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide (PubChem CID 55189478) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
PubChem CID55189478
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NC(C)CC(C)C)c1
InChIInChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(9-12)18-11(4)8-10(2)3/h6-7,9-11,18H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyXVMSONYKDGFRCU-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
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-(hexan-2-ylamino)benzamide
CID 63358537
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-N-ethyl-3-(1-pyridin-4-ylethylamino)benzamide
CID 63360832
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 63361049
2-[[3-amino-4-(4-methylpentan-2-ylamino)benzoyl]amino]-4-methylpentanoic acid
CID 90079474
4-amino-N-ethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 63360788
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
CID 63981201
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide (CID 55189478) is 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide is CCNC(=O)c1ccc(N)c(NC(C)CC(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide?
The InChIKey is XVMSONYKDGFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17-15(19)12-6-7-13(16)14(9-12)18-11(4)8-10(2)3/h6-7,9-11,18H,5,8,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide?
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.87, 6 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-(4-methylpentan-2-ylamino)benzamide is sourced from PubChem (CID 55189478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).