N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide

C22H28N4O2 — CID 142812843

IUPACN-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)Nc1ccc(/C=N/c2cc(NC(=O)C(C)(C)C)ccc2N)cc1
InChIInChI=1S/C22H28N4O2/c1-14(2)20(27)25-16-8-6-15(7-9-16)13-24-19-12-17(10-11-18(19)23)26-21(28)22(3,4)5/h6-14H,23H2,1-5H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyIMVCTZPBLJPQGD-ZMOGYAJESA-N
MW380.49 g/mol
LogP4.60
Rot. Bonds5

About N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide

N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 142812843) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide
PubChem CID142812843
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)Nc1ccc(/C=N/c2cc(NC(=O)C(C)(C)C)ccc2N)cc1
InChIInChI=1S/C22H28N4O2/c1-14(2)20(27)25-16-8-6-15(7-9-16)13-24-19-12-17(10-11-18(19)23)26-21(28)22(3,4)5/h6-14H,23H2,1-5H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyIMVCTZPBLJPQGD-ZMOGYAJESA-N
XLogP4.60
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
N-[4-amino-3-[[4-(methylamino)phenyl]methylideneamino]phenyl]-1,3-diethyl-5-(2-methylpropyl)cyclohexane-1-carboxamide
CID 142812876
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide (CID 142812843) is N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide is CC(C)C(=O)Nc1ccc(/C=N/c2cc(NC(=O)C(C)(C)C)ccc2N)cc1.
What is the InChIKey of N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is IMVCTZPBLJPQGD-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(2)20(27)25-16-8-6-15(7-9-16)13-24-19-12-17(10-11-18(19)23)26-21(28)22(3,4)5/h6-14H,23H2,1-5H3,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide?
N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-[[4-(2-methylpropanoylamino)phenyl]methylideneamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 142812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).