N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide

C14H18N2O5 — CID 104890101

IUPACN-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H18N2O5/c1-9(17)12-8-11(16(19)20)4-5-13(12)21-7-6-14(18)15-10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyDJEVCJFNIXFOCB-SECBINFHSA-N
MW294.31 g/mol
LogP1.70
Rot. Bonds7

About N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide

N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide (PubChem CID 104890101) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
PubChem CID104890101
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H18N2O5/c1-9(17)12-8-11(16(19)20)4-5-13(12)21-7-6-14(18)15-10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyDJEVCJFNIXFOCB-SECBINFHSA-N
XLogP1.70
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-cyclopropyl-3-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890356
2-[3-(cyclopropylamino)-3-oxopropoxy]-5-nitrobenzoic acid
CID 62628474
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
(1S)-1-[2-(3-methylbut-3-enoxy)-5-nitrophenyl]ethanol
CID 104929606
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 62625757
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
(1S)-1-(5-nitro-2-pent-4-ynoxyphenyl)ethanol
CID 104890437
(1R)-1-[5-nitro-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726363
N-cyclopropyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 62628086

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide (CID 104890101) is N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide is C[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The InChIKey is DJEVCJFNIXFOCB-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(17)12-8-11(16(19)20)4-5-13(12)21-7-6-14(18)15-10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide has a molecular weight of 294.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide is sourced from PubChem (CID 104890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).