carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide

C18H20N4O4 — CID 70184626

IUPACcarbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide
SMILESNC(N)=Nc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1.O=C(O)O
InChIInChI=1S/C17H18N4O.CH2O3/c18-17(19)21-15-3-1-2-13(10-15)16(22)20-14-8-6-12(7-9-14)11-4-5-11;2-1(3)4/h1-3,6-11H,4-5H2,(H,20,22)(H4,18,19,21);(H2,2,3,4)
InChIKeyUNAMFUDEJIJGCB-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.94
Rot. Bonds4

About carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide

carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide (PubChem CID 70184626) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide.

Molecular Properties

Compound Namecarbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide
PubChem CID70184626
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Namecarbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide
SMILESNC(N)=Nc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1.O=C(O)O
InChIInChI=1S/C17H18N4O.CH2O3/c18-17(19)21-15-3-1-2-13(10-15)16(22)20-14-8-6-12(7-9-14)11-4-5-11;2-1(3)4/h1-3,6-11H,4-5H2,(H,20,22)(H4,18,19,21);(H2,2,3,4)
InChIKeyUNAMFUDEJIJGCB-UHFFFAOYSA-N
XLogP2.94
TPSA151.03 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]-3-phenylprop-2-enoic acid
CID 70112147
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]butanoic acid
CID 21191400
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 70069599
[1-carboxy-2-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]ethyl]azanide;tungsten
CID 59959764
3-[2,6-dichloro-4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]prop-2-enoic acid
CID 54134908
N-(4-cyclohexylphenyl)benzamide
CID 10333838
(2S)-2-[4-[[3-(diaminomethylideneamino)benzoyl]amino]-N-(2-methylpropoxycarbonyl)anilino]propanoic acid
CID 70098881
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenoxy]-3-phenylpropanoic acid
CID 22268590
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid
CID 10274564
2-[[3-(diaminomethylideneamino)benzoyl]amino]acetic acid
CID 22608274
3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]-2-[(3,5-dichlorophenyl)sulfonylamino]propanoic acid
CID 20666964

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide?
The IUPAC name of carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide (CID 70184626) is carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide.
What is the SMILES notation for carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide?
The canonical SMILES for carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide is NC(N)=Nc1cccc(C(=O)Nc2ccc(C3CC3)cc2)c1.O=C(O)O.
What is the InChIKey of carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide?
The InChIKey is UNAMFUDEJIJGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.CH2O3/c18-17(19)21-15-3-1-2-13(10-15)16(22)20-14-8-6-12(7-9-14)11-4-5-11;2-1(3)4/h1-3,6-11H,4-5H2,(H,20,22)(H4,18,19,21);(H2,2,3,4).
What are the key properties of carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide?
carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-(4-cyclopropylphenyl)-3-(diaminomethylideneamino)benzamide is sourced from PubChem (CID 70184626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).