trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide

C19H26N2O2 — CID 95281523

IUPACtrans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C19H26N2O2/c1-13-5-3-4-6-16(13)19(8-9-19)12-21-17(22)7-10-20-18(23)15-11-14(15)2/h3-6,14-15H,7-12H2,1-2H3,(H,20,23)(H,21,22)/t14-,15-/m1/s1
InChIKeyJYIKBBCWFJHWHG-HUUCEWRRSA-N
MW314.43 g/mol
LogP2.31
Rot. Bonds7

About trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 95281523) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID95281523
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametrans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C19H26N2O2/c1-13-5-3-4-6-16(13)19(8-9-19)12-21-17(22)7-10-20-18(23)15-11-14(15)2/h3-6,14-15H,7-12H2,1-2H3,(H,20,23)(H,21,22)/t14-,15-/m1/s1
InChIKeyJYIKBBCWFJHWHG-HUUCEWRRSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 95281523) is trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide is Cc1ccccc1C1(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is JYIKBBCWFJHWHG-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-5-3-4-6-16(13)19(8-9-19)12-21-17(22)7-10-20-18(23)15-11-14(15)2/h3-6,14-15H,7-12H2,1-2H3,(H,20,23)(H,21,22)/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).