N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide

C16H25N3O2 — CID 120604437

IUPACN-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
SMILESCC(C)(C)CCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H25N3O2/c1-16(2,3)9-8-14(20)19-13-7-5-4-6-12(13)15(21)18-11-10-17/h4-7H,8-11,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRWJOMVJRKMXTCB-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.14
Rot. Bonds6

About N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide

N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide (PubChem CID 120604437) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
PubChem CID120604437
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
SMILESCC(C)(C)CCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H25N3O2/c1-16(2,3)9-8-14(20)19-13-7-5-4-6-12(13)15(21)18-11-10-17/h4-7H,8-11,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyRWJOMVJRKMXTCB-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]benzamide;hydrochloride
CID 120603877
N-(2-aminoethyl)-2-[3-(2-methylpropylsulfonyl)propanoylamino]benzamide;hydrochloride
CID 120603370
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide (CID 120604437) is N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide is CC(C)(C)CCC(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide?
The InChIKey is RWJOMVJRKMXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)9-8-14(20)19-13-7-5-4-6-12(13)15(21)18-11-10-17/h4-7H,8-11,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide?
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide has a molecular weight of 291.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide is sourced from PubChem (CID 120604437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).