N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide

C19H20N2O — CID 120594461

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1C2Cc3ccccc3C21)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-19(20,13-8-3-2-4-9-13)18(22)21-17-15-11-12-7-5-6-10-14(12)16(15)17/h2-10,15-17H,11,20H2,1H3,(H,21,22)
InChIKeyRBSLOCXQFWCKTE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.32
Rot. Bonds3

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide (PubChem CID 120594461) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide
PubChem CID120594461
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1C2Cc3ccccc3C21)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-19(20,13-8-3-2-4-9-13)18(22)21-17-15-11-12-7-5-6-10-14(12)16(15)17/h2-10,15-17H,11,20H2,1H3,(H,21,22)
InChIKeyRBSLOCXQFWCKTE-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide (CID 120594461) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide is CC(N)(C(=O)NC1C2Cc3ccccc3C21)c1ccccc1.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide?
The InChIKey is RBSLOCXQFWCKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(20,13-8-3-2-4-9-13)18(22)21-17-15-11-12-7-5-6-10-14(12)16(15)17/h2-10,15-17H,11,20H2,1H3,(H,21,22).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide is sourced from PubChem (CID 120594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).