N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide

C11H14N4O2 — CID 6020603

IUPACN-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(N)=O)c1
InChIInChI=1S/C11H14N4O2/c1-7(14-15-11(12)17)9-4-3-5-10(6-9)13-8(2)16/h3-6H,1-2H3,(H,13,16)(H3,12,15,17)/b14-7-
InChIKeyVSHZJOXCZCAAJU-AUWJEWJLSA-N
MW234.26 g/mol
LogP1.04
Rot. Bonds3

About N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide

N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 6020603) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID6020603
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(N)=O)c1
InChIInChI=1S/C11H14N4O2/c1-7(14-15-11(12)17)9-4-3-5-10(6-9)13-8(2)16/h3-6H,1-2H3,(H,13,16)(H3,12,15,17)/b14-7-
InChIKeyVSHZJOXCZCAAJU-AUWJEWJLSA-N
XLogP1.04
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
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
N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 146836699
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
CID 4185581
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide (CID 6020603) is N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide is CC(=O)Nc1cccc(/C(C)=N\NC(N)=O)c1.
What is the InChIKey of N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is VSHZJOXCZCAAJU-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(14-15-11(12)17)9-4-3-5-10(6-9)13-8(2)16/h3-6H,1-2H3,(H,13,16)(H3,12,15,17)/b14-7-.
What are the key properties of N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide?
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 234.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 6020603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).