(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide

C14H20N2O2 — CID 97315932

IUPAC(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
SMILESNC(=O)[C@@H](NCC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-14(17)13(12-4-2-1-3-5-12)16-10-11-6-8-18-9-7-11/h1-5,11,13,16H,6-10H2,(H2,15,17)/t13-/m0/s1
InChIKeyOXMUDBJAGRZDNY-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds5

About (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide

(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide (PubChem CID 97315932) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
PubChem CID97315932
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
SMILESNC(=O)[C@@H](NCC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c15-14(17)13(12-4-2-1-3-5-12)16-10-11-6-8-18-9-7-11/h1-5,11,13,16H,6-10H2,(H2,15,17)/t13-/m0/s1
InChIKeyOXMUDBJAGRZDNY-ZDUSSCGKSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
1-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylmethanamine
CID 62384702
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
2-(2-bromophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60996640
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide?
The IUPAC name of (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide (CID 97315932) is (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide is NC(=O)[C@@H](NCC1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide?
The InChIKey is OXMUDBJAGRZDNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)13(12-4-2-1-3-5-12)16-10-11-6-8-18-9-7-11/h1-5,11,13,16H,6-10H2,(H2,15,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide?
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide is sourced from PubChem (CID 97315932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).