N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide

C12H17N3O2 — CID 134096602

IUPACN-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide
SMILESCCN(C=O)c1cccc(N(CC)C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-14(9-16)10-6-5-7-11(8-10)15(4-2)12(13)17/h5-9H,3-4H2,1-2H3,(H2,13,17)
InChIKeyGZNMIIQVQFYMFY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.57
Rot. Bonds5

About N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide

N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide (PubChem CID 134096602) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide
PubChem CID134096602
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide
SMILESCCN(C=O)c1cccc(N(CC)C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-3-14(9-16)10-6-5-7-11(8-10)15(4-2)12(13)17/h5-9H,3-4H2,1-2H3,(H2,13,17)
InChIKeyGZNMIIQVQFYMFY-UHFFFAOYSA-N
XLogP1.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-1-ethylurea
CID 3032085
1-(3-methylphenyl)-1-pentylurea
CID 3032149
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
1-(3-ethoxyphenyl)-1-propylurea
CID 3032093
N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide
CID 131881488
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide
CID 143013806

Frequently Asked Questions

What is the IUPAC name of N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide?
The IUPAC name of N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide (CID 134096602) is N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide.
What is the SMILES notation for N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide?
The canonical SMILES for N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide is CCN(C=O)c1cccc(N(CC)C(N)=O)c1.
What is the InChIKey of N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide?
The InChIKey is GZNMIIQVQFYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-14(9-16)10-6-5-7-11(8-10)15(4-2)12(13)17/h5-9H,3-4H2,1-2H3,(H2,13,17).
What are the key properties of N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide?
N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide has a molecular weight of 235.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[carbamoyl(ethyl)amino]phenyl]-N-ethylformamide is sourced from PubChem (CID 134096602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).