N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide

C19H34N2O — CID 129431139

IUPACN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1
InChIInChI=1S/C19H34N2O/c1-14-8-16(11-19(2,3)10-14)9-18(22)20-17-6-7-21(13-17)12-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,16+,17+/m1/s1
InChIKeyNIUIYONNBJSBMH-PVAVHDDUSA-N
MW306.49 g/mol
LogP3.44
Rot. Bonds5

About N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide

N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 129431139) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID129431139
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1
InChIInChI=1S/C19H34N2O/c1-14-8-16(11-19(2,3)10-14)9-18(22)20-17-6-7-21(13-17)12-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,16+,17+/m1/s1
InChIKeyNIUIYONNBJSBMH-PVAVHDDUSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide with MolForge

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Related Compounds

N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
N-[(3R)-1-[[(1S,3R)-3-methylcyclopentyl]methyl]piperidin-3-yl]butanamide
CID 124740481
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
N-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propanamide
CID 175621352
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119385531
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 124728544
1-[4-(ethoxymethyl)piperidin-1-yl]-2-[(1R,5S)-3,3,5-trimethylcyclohexyl]ethanone
CID 97316657
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
1-(3-methylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone
CID 119580838
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119639407

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide (CID 129431139) is N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide is C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1.
What is the InChIKey of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is NIUIYONNBJSBMH-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H34N2O/c1-14-8-16(11-19(2,3)10-14)9-18(22)20-17-6-7-21(13-17)12-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,16+,17+/m1/s1.
What are the key properties of N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide?
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 306.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 129431139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).