N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide

C11H22N4O2 — CID 83110875

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C11H22N4O2/c1-11(4-5-12-8-11)9(16)13-6-7-14-10(17)15(2)3/h12H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyHDJZQPNNBVAASC-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.63
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 83110875) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID83110875
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1(C)CCNC1
InChIInChI=1S/C11H22N4O2/c1-11(4-5-12-8-11)9(16)13-6-7-14-10(17)15(2)3/h12H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyHDJZQPNNBVAASC-UHFFFAOYSA-N
XLogP-0.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-(3-butoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 115737915
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 83110875) is N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide is CN(C)C(=O)NCCNC(=O)C1(C)CCNC1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is HDJZQPNNBVAASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(4-5-12-8-11)9(16)13-6-7-14-10(17)15(2)3/h12H,4-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 83110875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).