N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide

C19H29N5O2 — CID 119046448

IUPACN-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide
SMILESCc1cc(NC(=O)NCC(=O)NCC2CC2)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C19H29N5O2/c1-14-9-16(11-17(10-14)24-7-5-23(2)6-8-24)22-19(26)21-13-18(25)20-12-15-3-4-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyGJGVZGRPLUWLSA-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.39
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide

N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide (PubChem CID 119046448) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide
PubChem CID119046448
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide
SMILESCc1cc(NC(=O)NCC(=O)NCC2CC2)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C19H29N5O2/c1-14-9-16(11-17(10-14)24-7-5-23(2)6-8-24)22-19(26)21-13-18(25)20-12-15-3-4-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyGJGVZGRPLUWLSA-UHFFFAOYSA-N
XLogP1.39
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 119046461
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
5-(methoxymethyl)-N-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 119046422
N-(cyclopropylmethyl)-2-[(4-ethyl-3-fluorophenyl)carbamoylamino]acetamide
CID 75517627
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
CID 75517626
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 112974032
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-(3,5-dimethylphenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 47194881
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide (CID 119046448) is N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide is Cc1cc(NC(=O)NCC(=O)NCC2CC2)cc(N2CCN(C)CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide?
The InChIKey is GJGVZGRPLUWLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14-9-16(11-17(10-14)24-7-5-23(2)6-8-24)22-19(26)21-13-18(25)20-12-15-3-4-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,20,25)(H2,21,22,26).
What are the key properties of N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide?
N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 119046448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).