4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide

C14H22N4O2 — CID 119293073

IUPAC4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)CCCN
InChIInChI=1S/C14H22N4O2/c1-10(2)16-14(20)18-12-7-4-3-6-11(12)17-13(19)8-5-9-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyOHFLUBJNDWNMEA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.89
Rot. Bonds6

About 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide

4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide (PubChem CID 119293073) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
PubChem CID119293073
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)CCCN
InChIInChI=1S/C14H22N4O2/c1-10(2)16-14(20)18-12-7-4-3-6-11(12)17-13(19)8-5-9-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyOHFLUBJNDWNMEA-UHFFFAOYSA-N
XLogP1.89
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
CID 39192948

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide (CID 119293073) is 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide is CC(C)NC(=O)Nc1ccccc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide?
The InChIKey is OHFLUBJNDWNMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)16-14(20)18-12-7-4-3-6-11(12)17-13(19)8-5-9-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide?
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide has a molecular weight of 278.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 119293073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).