N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide

C17H26N4O2 — CID 75517626

IUPACN-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)NCC(=O)NCC1CC1
InChIInChI=1S/C17H26N4O2/c1-11-7-14(21(3)4)8-12(2)16(11)20-17(23)19-10-15(22)18-9-13-5-6-13/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyUDQMDNPCDBLLSN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.02
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide

N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide (PubChem CID 75517626) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
PubChem CID75517626
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
SMILESCc1cc(N(C)C)cc(C)c1NC(=O)NCC(=O)NCC1CC1
InChIInChI=1S/C17H26N4O2/c1-11-7-14(21(3)4)8-12(2)16(11)20-17(23)19-10-15(22)18-9-13-5-6-13/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,22)(H2,19,20,23)
InChIKeyUDQMDNPCDBLLSN-UHFFFAOYSA-N
XLogP2.02
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
CID 86795692
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
N-(cyclopropylmethyl)-2-[(4-ethyl-3-fluorophenyl)carbamoylamino]acetamide
CID 75517627
N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide
CID 119046448
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
CID 86987364
N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
CID 47323048
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide (CID 75517626) is N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide is Cc1cc(N(C)C)cc(C)c1NC(=O)NCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide?
The InChIKey is UDQMDNPCDBLLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-7-14(21(3)4)8-12(2)16(11)20-17(23)19-10-15(22)18-9-13-5-6-13/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide?
N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide is sourced from PubChem (CID 75517626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).