N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide

C14H21N3O2 — CID 63107810

IUPACN-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCCCC(N)=O
InChIInChI=1S/C14H21N3O2/c1-10(2)17-12-7-4-3-6-11(12)14(19)16-9-5-8-13(15)18/h3-4,6-7,10,17H,5,8-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyDMNMJFHKHUWIBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide

N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63107810) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
PubChem CID63107810
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCCCC(N)=O
InChIInChI=1S/C14H21N3O2/c1-10(2)17-12-7-4-3-6-11(12)14(19)16-9-5-8-13(15)18/h3-4,6-7,10,17H,5,8-9H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyDMNMJFHKHUWIBO-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 53
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-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide (CID 63107810) is N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCCCC(N)=O.
What is the InChIKey of N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is DMNMJFHKHUWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)17-12-7-4-3-6-11(12)14(19)16-9-5-8-13(15)18/h3-4,6-7,10,17H,5,8-9H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide?
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).