N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide

C18H29N5O2 — CID 134068370

IUPACN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide
SMILESCC(C)CC1CC(C(=O)NCc2cccc(NC(=O)N(C)C)c2)NN1
InChIInChI=1S/C18H29N5O2/c1-12(2)8-15-10-16(22-21-15)17(24)19-11-13-6-5-7-14(9-13)20-18(25)23(3)4/h5-7,9,12,15-16,21-22H,8,10-11H2,1-4H3,(H,19,24)(H,20,25)
InChIKeyTUETWFSWKFGXID-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.68
Rot. Bonds6

About N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide

N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide (PubChem CID 134068370) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide
PubChem CID134068370
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide
SMILESCC(C)CC1CC(C(=O)NCc2cccc(NC(=O)N(C)C)c2)NN1
InChIInChI=1S/C18H29N5O2/c1-12(2)8-15-10-16(22-21-15)17(24)19-11-13-6-5-7-14(9-13)20-18(25)23(3)4/h5-7,9,12,15-16,21-22H,8,10-11H2,1-4H3,(H,19,24)(H,20,25)
InChIKeyTUETWFSWKFGXID-UHFFFAOYSA-N
XLogP1.68
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119803043
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
(2E,4E)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]hexa-2,4-dienamide
CID 75407731
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
(1R,2S,4S)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98384572
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(propan-2-ylamino)methyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106910792
N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide (CID 134068370) is N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide is CC(C)CC1CC(C(=O)NCc2cccc(NC(=O)N(C)C)c2)NN1.
What is the InChIKey of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide?
The InChIKey is TUETWFSWKFGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)8-15-10-16(22-21-15)17(24)19-11-13-6-5-7-14(9-13)20-18(25)23(3)4/h5-7,9,12,15-16,21-22H,8,10-11H2,1-4H3,(H,19,24)(H,20,25).
What are the key properties of N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide?
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-5-(2-methylpropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).