N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide

C17H24N2O2 — CID 115301019

IUPACN-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
SMILESNC(CNC(=O)C1CCCOC1c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c18-15(12-8-9-12)11-19-17(20)14-7-4-10-21-16(14)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11,18H2,(H,19,20)
InChIKeyBYWRGSDCPDXDPR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide

N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide (PubChem CID 115301019) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
PubChem CID115301019
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide
SMILESNC(CNC(=O)C1CCCOC1c1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c18-15(12-8-9-12)11-19-17(20)14-7-4-10-21-16(14)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11,18H2,(H,19,20)
InChIKeyBYWRGSDCPDXDPR-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-phenyloxane-3-carbonyl)amino]pentanoic acid
CID 119235243
(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432
N-[2-(4-aminophenyl)ethyl]-2-phenyloxane-3-carboxamide;hydrochloride
CID 119548045
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
CID 94661285
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
N-[2-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide;hydrochloride
CID 120830094
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
N-pent-1-yn-3-yl-2-phenyloxane-3-carboxamide
CID 103578898
2-methyl-5-[[[(2R,3R)-2-phenyloxane-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125148950
2-phenyloxolane-3-carbohydrazide
CID 122235516
N-[3-(3-bromophenyl)propyl]-2-phenyloxane-3-carboxamide
CID 86901490

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide (CID 115301019) is N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide is NC(CNC(=O)C1CCCOC1c1ccccc1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide?
The InChIKey is BYWRGSDCPDXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-15(12-8-9-12)11-19-17(20)14-7-4-10-21-16(14)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11,18H2,(H,19,20).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide?
N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 115301019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).