N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen

C18H27N3O2 — CID 162429376

IUPACN-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)N(Cc1ccccc1)c1cccc(NC(N)=O)c1.[H][H].[H][H]
InChIInChI=1S/C16H17N3O2.C2H6.2H2/c1-12(20)19(11-13-6-3-2-4-7-13)15-9-5-8-14(10-15)18-16(17)21;1-2;;/h2-10H,11H2,1H3,(H3,17,18,21);1-2H3;2*1H
InChIKeyFQEIBRQTYGPDNS-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.25
Rot. Bonds4

About N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen

N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen (PubChem CID 162429376) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
PubChem CID162429376
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)N(Cc1ccccc1)c1cccc(NC(N)=O)c1.[H][H].[H][H]
InChIInChI=1S/C16H17N3O2.C2H6.2H2/c1-12(20)19(11-13-6-3-2-4-7-13)15-9-5-8-14(10-15)18-16(17)21;1-2;;/h2-10H,11H2,1H3,(H3,17,18,21);1-2H3;2*1H
InChIKeyFQEIBRQTYGPDNS-UHFFFAOYSA-N
XLogP4.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
3-(3-acetylphenyl)-1-benzyl-1-phenylthiourea
CID 19678417
molecular hydrogen;phenylurea
CID 143657584
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
ethanol;phenylurea
CID 158950745
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N,3-diacetylanilino)-N-phenylacetamide
CID 113175453
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
[3-(methylamino)phenyl]urea
CID 23558981

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen?
The IUPAC name of N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen (CID 162429376) is N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen?
The canonical SMILES for N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen is CC.CC(=O)N(Cc1ccccc1)c1cccc(NC(N)=O)c1.[H][H].[H][H].
What is the InChIKey of N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen?
The InChIKey is FQEIBRQTYGPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.C2H6.2H2/c1-12(20)19(11-13-6-3-2-4-7-13)15-9-5-8-14(10-15)18-16(17)21;1-2;;/h2-10H,11H2,1H3,(H3,17,18,21);1-2H3;2*1H.
What are the key properties of N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen?
N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen has a molecular weight of 317.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(carbamoylamino)phenyl]acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 162429376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).