N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide

C15H24N4O2 — CID 89411564

IUPACN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NCCC(N)=O)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)9-14(21)19-10-4-5-12(11(16)8-10)18-7-6-13(17)20/h4-5,8,18H,6-7,9,16H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyPIOIENSEQSEJOM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds6

About N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide

N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide (PubChem CID 89411564) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
PubChem CID89411564
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(NCCC(N)=O)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)9-14(21)19-10-4-5-12(11(16)8-10)18-7-6-13(17)20/h4-5,8,18H,6-7,9,16H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyPIOIENSEQSEJOM-UHFFFAOYSA-N
XLogP1.93
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
CID 89411525
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
3-amino-4-[(4-amino-4-oxobutyl)amino]benzoic acid
CID 54888280
N-(3-bromo-4-carbamothioylphenyl)-3,3-dimethylbutanamide
CID 112736120
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
N-[4-(2,4-diaminoanilino)phenyl]butanamide
CID 54795017
5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide (CID 89411564) is N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(NCCC(N)=O)c(N)c1.
What is the InChIKey of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide?
The InChIKey is PIOIENSEQSEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)9-14(21)19-10-4-5-12(11(16)8-10)18-7-6-13(17)20/h4-5,8,18H,6-7,9,16H2,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide?
N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 89411564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).