N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide

C13H20N4O2 — CID 47192652

IUPACN-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N4O2/c1-10(18)14-8-9-15-13(19)16-11-4-6-12(7-5-11)17(2)3/h4-7H,8-9H2,1-3H3,(H,14,18)(H2,15,16,19)
InChIKeyUXMXVBDTXMEACW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.01
Rot. Bonds5

About N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide

N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide (PubChem CID 47192652) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
PubChem CID47192652
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N4O2/c1-10(18)14-8-9-15-13(19)16-11-4-6-12(7-5-11)17(2)3/h4-7H,8-9H2,1-3H3,(H,14,18)(H2,15,16,19)
InChIKeyUXMXVBDTXMEACW-UHFFFAOYSA-N
XLogP1.01
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
3-[[4-(dimethylamino)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 62670467
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide (CID 47192652) is N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide?
The InChIKey is UXMXVBDTXMEACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(18)14-8-9-15-13(19)16-11-4-6-12(7-5-11)17(2)3/h4-7H,8-9H2,1-3H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide?
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 47192652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).