3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide

C12H23N3O2 — CID 119449816

IUPAC3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
SMILESCC(C)CC(=O)NCCC(=O)NC1CCNC1
InChIInChI=1S/C12H23N3O2/c1-9(2)7-12(17)14-6-4-11(16)15-10-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNQDCVQUBGCUIID-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds6

About 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide

3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide (PubChem CID 119449816) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
PubChem CID119449816
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
SMILESCC(C)CC(=O)NCCC(=O)NC1CCNC1
InChIInChI=1S/C12H23N3O2/c1-9(2)7-12(17)14-6-4-11(16)15-10-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNQDCVQUBGCUIID-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120573407
N-pyrrolidin-3-ylpropanamide
CID 18337238
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
2-(2-methylpropylsulfonyl)-N-pyrrolidin-3-ylacetamide
CID 119454185
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
CID 43603556

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide?
The IUPAC name of 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide (CID 119449816) is 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide is CC(C)CC(=O)NCCC(=O)NC1CCNC1.
What is the InChIKey of 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide?
The InChIKey is NQDCVQUBGCUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)7-12(17)14-6-4-11(16)15-10-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide?
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide is sourced from PubChem (CID 119449816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).