(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C14H18N2O4 — CID 894829

IUPAC(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1
InChIKeyKZPAKHJKISMATP-GXFFZTMASA-N
MW278.31 g/mol
LogP1.99
Rot. Bonds5

About (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 894829) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID894829
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1
InChIKeyKZPAKHJKISMATP-GXFFZTMASA-N
XLogP1.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724
(2S)-2-[methyl-[(4-nitrophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97213864
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
2-[(4-nitrophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7334040
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-(3-methylbutyl)-2-[(4-nitrophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111494980
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide
CID 7443030
1-[2-(difluoromethoxy)-5-nitrophenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94156226
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 894829) is (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@H](C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is KZPAKHJKISMATP-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(11-4-6-12(7-5-11)16(18)19)14(17)15-9-13-3-2-8-20-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1.
What are the key properties of (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 278.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 894829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).