trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C16H20N2O3 — CID 39895698

IUPACtrans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C16H20N2O3/c1-10-8-14(10)16(21)17-7-6-15(20)18-13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14H,6-8H2,1-2H3,(H,17,21)(H,18,20)/t10-,14-/m1/s1
InChIKeyYRZLYOVKUUWJHN-QMTHXVAHSA-N
MW288.35 g/mol
LogP1.99
Rot. Bonds6

About trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 39895698) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID39895698
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nametrans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1
InChIInChI=1S/C16H20N2O3/c1-10-8-14(10)16(21)17-7-6-15(20)18-13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14H,6-8H2,1-2H3,(H,17,21)(H,18,20)/t10-,14-/m1/s1
InChIKeyYRZLYOVKUUWJHN-QMTHXVAHSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide 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

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
CID 63154255
cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 32580350
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979
2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
CID 47042436
1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984604
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38741503
cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94800980

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 39895698) is trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]2C)c1.
What is the InChIKey of trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YRZLYOVKUUWJHN-QMTHXVAHSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-8-14(10)16(21)17-7-6-15(20)18-13-5-3-4-12(9-13)11(2)19/h3-5,9-10,14H,6-8H2,1-2H3,(H,17,21)(H,18,20)/t10-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 39895698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).