trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide

C18H28N2O — CID 90666082

IUPACtrans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)20(14(3)4)11-10-19-18(21)17-12-16(17)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyAEWDDZISUFVJOR-SJORKVTESA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds7

About trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 90666082) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID90666082
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Nametrans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)20(14(3)4)11-10-19-18(21)17-12-16(17)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyAEWDDZISUFVJOR-SJORKVTESA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 90666082) is trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide is CC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C.
What is the InChIKey of trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AEWDDZISUFVJOR-SJORKVTESA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)20(14(3)4)11-10-19-18(21)17-12-16(17)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 90666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).