N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide

C13H24N2O — CID 153399051

IUPACN-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1C2CC1CN(C)C2
InChIInChI=1S/C13H24N2O/c1-4-9(2)14-13(16)6-12-10-5-11(12)8-15(3)7-10/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10?,11?,12?/m0/s1
InChIKeyRQYPKMVUIVTWAP-ZLMIFYAYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide

N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (PubChem CID 153399051) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
PubChem CID153399051
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
SMILESCC[C@H](C)NC(=O)CC1C2CC1CN(C)C2
InChIInChI=1S/C13H24N2O/c1-4-9(2)14-13(16)6-12-10-5-11(12)8-15(3)7-10/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10?,11?,12?/m0/s1
InChIKeyRQYPKMVUIVTWAP-ZLMIFYAYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(1,1-dioxothian-4-yl)acetamide
CID 110848488
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
N-butan-2-yl-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83022308
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide (CID 153399051) is N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is CC[C@H](C)NC(=O)CC1C2CC1CN(C)C2.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
The InChIKey is RQYPKMVUIVTWAP-ZLMIFYAYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-9(2)14-13(16)6-12-10-5-11(12)8-15(3)7-10/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10?,11?,12?/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide is sourced from PubChem (CID 153399051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).