N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide

C15H21N3O2 — CID 54323644

IUPACN-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
SMILESCN(C)C(=O)Nc1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-18(2)15(20)17-13-5-3-4-12(8-13)9-14(19)16-10-11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySTJVCTKHXRAGDP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.85
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide

N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide (PubChem CID 54323644) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
PubChem CID54323644
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
SMILESCN(C)C(=O)Nc1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-18(2)15(20)17-13-5-3-4-12(8-13)9-14(19)16-10-11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySTJVCTKHXRAGDP-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
CID 54255659
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
CID 129065693
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide (CID 54323644) is N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide is CN(C)C(=O)Nc1cccc(CC(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The InChIKey is STJVCTKHXRAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(2)15(20)17-13-5-3-4-12(8-13)9-14(19)16-10-11-6-7-11/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 54323644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).