N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide

C19H24N6O — CID 168603567

IUPACN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C(\N)N=C(N)N)c2)cc1
InChIInChI=1S/C19H24N6O/c1-19(2,3)13-9-7-12(8-10-13)16(26)23-14-5-4-6-15(11-14)24-18(22)25-17(20)21/h4-11H,1-3H3,(H,23,26)(H6,20,21,22,24,25)
InChIKeyJWKHTHMKDRIVKY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.46
Rot. Bonds3

About N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide

N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide (PubChem CID 168603567) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide
PubChem CID168603567
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C(\N)N=C(N)N)c2)cc1
InChIInChI=1S/C19H24N6O/c1-19(2,3)13-9-7-12(8-10-13)16(26)23-14-5-4-6-15(11-14)24-18(22)25-17(20)21/h4-11H,1-3H3,(H,23,26)(H6,20,21,22,24,25)
InChIKeyJWKHTHMKDRIVKY-UHFFFAOYSA-N
XLogP2.46
TPSA131.88 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-methylbenzamide
CID 168604296
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
CID 168602315
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
5-[[3-[[amino-(diaminomethylideneamino)methylidene]amino]benzoyl]amino]-2-hydroxybenzoic acid
CID 168604737
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide (CID 168603567) is N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C(\N)N=C(N)N)c2)cc1.
What is the InChIKey of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide?
The InChIKey is JWKHTHMKDRIVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)13-9-7-12(8-10-13)16(26)23-14-5-4-6-15(11-14)24-18(22)25-17(20)21/h4-11H,1-3H3,(H,23,26)(H6,20,21,22,24,25).
What are the key properties of N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide?
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide has a molecular weight of 352.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 168603567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).