N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide

C14H17N5O — CID 156515559

IUPACN-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide
SMILES[H]/N=C(/C=C\C(=N\[H])c1cccc(NC(C)=O)c1)\N=C(/C)N
InChIInChI=1S/C14H17N5O/c1-9(15)18-14(17)7-6-13(16)11-4-3-5-12(8-11)19-10(2)20/h3-8,16H,1-2H3,(H,19,20)(H3,15,17,18)/b7-6-,16-13-
InChIKeyZGZKOWMKHBRRPK-IKGLXFJPSA-N
MW271.32 g/mol
LogP1.92
Rot. Bonds4

About N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide

N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide (PubChem CID 156515559) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide
PubChem CID156515559
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide
SMILES[H]/N=C(/C=C\C(=N\[H])c1cccc(NC(C)=O)c1)\N=C(/C)N
InChIInChI=1S/C14H17N5O/c1-9(15)18-14(17)7-6-13(16)11-4-3-5-12(8-11)19-10(2)20/h3-8,16H,1-2H3,(H,19,20)(H3,15,17,18)/b7-6-,16-13-
InChIKeyZGZKOWMKHBRRPK-IKGLXFJPSA-N
XLogP1.92
TPSA115.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.92
H-Bond Donors ≤ 54
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

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CID 23372958
methyl (E)-5-imino-5-[3-(prop-2-enoylamino)phenyl]pent-3-enoate
CID 162528224
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
ethyl 3-acetamidobenzoate
CID 700589
[(Z)-4-amino-4-imino-1-[3-(propanoylamino)phenyl]but-2-enylidene]azanium
CID 178029972
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
1-N,5-N-bis[3-(N-carbamimidamido-C-methylcarbonimidoyl)phenyl]-3-N-[3-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]benzene-1,3,5-tricarboxamide
CID 135431065
3-acetamido-N-ethylbenzamide
CID 17230670
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
CID 22892049

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide (CID 156515559) is N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide is [H]/N=C(/C=C\C(=N\[H])c1cccc(NC(C)=O)c1)\N=C(/C)N.
What is the InChIKey of N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide?
The InChIKey is ZGZKOWMKHBRRPK-IKGLXFJPSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9(15)18-14(17)7-6-13(16)11-4-3-5-12(8-11)19-10(2)20/h3-8,16H,1-2H3,(H,19,20)(H3,15,17,18)/b7-6-,16-13-.
What are the key properties of N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide?
N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide is sourced from PubChem (CID 156515559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).