N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide

C18H30N4O2 — CID 56794680

IUPACN-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide
SMILESCCC(CC)C(CNC(=O)Nc1cccc(NC(C)=O)c1)N(C)C
InChIInChI=1S/C18H30N4O2/c1-6-14(7-2)17(22(4)5)12-19-18(24)21-16-10-8-9-15(11-16)20-13(3)23/h8-11,14,17H,6-7,12H2,1-5H3,(H,20,23)(H2,19,21,24)
InChIKeyFGNAAPCOBXMMSG-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.13
Rot. Bonds8

About N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide

N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide (PubChem CID 56794680) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide
PubChem CID56794680
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide
SMILESCCC(CC)C(CNC(=O)Nc1cccc(NC(C)=O)c1)N(C)C
InChIInChI=1S/C18H30N4O2/c1-6-14(7-2)17(22(4)5)12-19-18(24)21-16-10-8-9-15(11-16)20-13(3)23/h8-11,14,17H,6-7,12H2,1-5H3,(H,20,23)(H2,19,21,24)
InChIKeyFGNAAPCOBXMMSG-UHFFFAOYSA-N
XLogP3.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
2-[[(3-acetamidophenyl)carbamoylamino]methyl]butanoic acid
CID 65219158
1-[3-[(dimethylamino)methyl]phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111115089
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
1-[2-(dimethylamino)-3-methylbutyl]-3-(3-nitrophenyl)urea
CID 42939776
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
CID 47202587
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
CID 115662968
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide (CID 56794680) is N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide is CCC(CC)C(CNC(=O)Nc1cccc(NC(C)=O)c1)N(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide?
The InChIKey is FGNAAPCOBXMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-14(7-2)17(22(4)5)12-19-18(24)21-16-10-8-9-15(11-16)20-13(3)23/h8-11,14,17H,6-7,12H2,1-5H3,(H,20,23)(H2,19,21,24).
What are the key properties of N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide?
N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-3-ethylpentyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 56794680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).