N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide

C14H19N3O3 — CID 79139425

IUPACN-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10(11-3-2-4-13(9-11)17(19)20)15-8-7-14(18)16-12-5-6-12/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,18)
InChIKeySNXCEYFFWSOQTQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide

N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide (PubChem CID 79139425) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
PubChem CID79139425
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10(11-3-2-4-13(9-11)17(19)20)15-8-7-14(18)16-12-5-6-12/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,18)
InChIKeySNXCEYFFWSOQTQ-UHFFFAOYSA-N
XLogP1.91
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
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

N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
CID 79380363
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
2-[1-(3-nitrophenyl)ethylamino]ethylurea
CID 83110972
4-[1-(3-nitrophenyl)ethylamino]butan-2-ol
CID 64912592
1-[2-[[(1R)-1-(3-nitrophenyl)ethyl]amino]ethyl]cyclobutan-1-ol
CID 125142524
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 115667947

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide (CID 79139425) is N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide is CC(NCCC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide?
The InChIKey is SNXCEYFFWSOQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(11-3-2-4-13(9-11)17(19)20)15-8-7-14(18)16-12-5-6-12/h2-4,9-10,12,15H,5-8H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide?
N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide has a molecular weight of 277.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 79139425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).