N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide

C14H22N4O2 — CID 61341674

IUPACN-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H22N4O2/c1-4-16-13(19)9-17-14(20)18-12-7-5-11(6-8-12)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyLASQWFVXMYMKQV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.22
Rot. Bonds6

About N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide

N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide (PubChem CID 61341674) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
PubChem CID61341674
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
SMILESCCNC(=O)CNC(=O)Nc1ccc(C(C)NC)cc1
InChIInChI=1S/C14H22N4O2/c1-4-16-13(19)9-17-14(20)18-12-7-5-11(6-8-12)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyLASQWFVXMYMKQV-UHFFFAOYSA-N
XLogP1.22
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
CID 61340044
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 62056596
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
2-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]acetamide
CID 61279184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide?
The IUPAC name of N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide (CID 61341674) is N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide is CCNC(=O)CNC(=O)Nc1ccc(C(C)NC)cc1.
What is the InChIKey of N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide?
The InChIKey is LASQWFVXMYMKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-16-13(19)9-17-14(20)18-12-7-5-11(6-8-12)10(2)15-3/h5-8,10,15H,4,9H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide?
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 61341674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).