N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide

C14H20N4O2 — CID 136641843

IUPACN-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide
SMILESCCN(CC)C(=O)NC=NN(C(C)=O)c1ccccc1
InChIInChI=1S/C14H20N4O2/c1-4-17(5-2)14(20)15-11-16-18(12(3)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,15,16,20)
InChIKeyPXPKYESGQCQWDF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.03
Rot. Bonds5

About N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide

N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide (PubChem CID 136641843) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide
PubChem CID136641843
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide
SMILESCCN(CC)C(=O)NC=NN(C(C)=O)c1ccccc1
InChIInChI=1S/C14H20N4O2/c1-4-17(5-2)14(20)15-11-16-18(12(3)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,15,16,20)
InChIKeyPXPKYESGQCQWDF-UHFFFAOYSA-N
XLogP2.03
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
CID 110634646
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
2-methyl-N-phenyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]prop-2-enamide
CID 58607588
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1,1-diethyl-3-(phenylsulfanylamino)urea
CID 151507405
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
CID 155277050
1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
CID 23183847
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004

Frequently Asked Questions

What is the IUPAC name of N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide?
The IUPAC name of N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide (CID 136641843) is N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide.
What is the SMILES notation for N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide?
The canonical SMILES for N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide is CCN(CC)C(=O)NC=NN(C(C)=O)c1ccccc1.
What is the InChIKey of N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide?
The InChIKey is PXPKYESGQCQWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-17(5-2)14(20)15-11-16-18(12(3)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,15,16,20).
What are the key properties of N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide?
N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide has a molecular weight of 276.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(diethylcarbamoylamino)methylideneamino]-N-phenylacetamide is sourced from PubChem (CID 136641843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).