N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide

C14H29N3O2 — CID 61215342

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(CC(C)C)CN(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-10(2)6-11(9-17(3)4)16-14(18)13-7-12(19-5)8-15-13/h10-13,15H,6-9H2,1-5H3,(H,16,18)
InChIKeyXNPRURDLSMHFKA-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.46
Rot. Bonds7

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61215342) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61215342
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(CC(C)C)CN(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-10(2)6-11(9-17(3)4)16-14(18)13-7-12(19-5)8-15-13/h10-13,15H,6-9H2,1-5H3,(H,16,18)
InChIKeyXNPRURDLSMHFKA-UHFFFAOYSA-N
XLogP0.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61248362
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833245
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide (CID 61215342) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(CC(C)C)CN(C)C)C1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is XNPRURDLSMHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(2)6-11(9-17(3)4)16-14(18)13-7-12(19-5)8-15-13/h10-13,15H,6-9H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61215342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).