N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide

C15H21N3O3 — CID 79380363

IUPACN-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10-3-4-12(9-14(10)18(20)21)11(2)16-8-7-15(19)17-13-5-6-13/h3-4,9,11,13,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyUISPSXKBDNNZRL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.22
Rot. Bonds7

About N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide

N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide (PubChem CID 79380363) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
PubChem CID79380363
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-10-3-4-12(9-14(10)18(20)21)11(2)16-8-7-15(19)17-13-5-6-13/h3-4,9,11,13,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyUISPSXKBDNNZRL-UHFFFAOYSA-N
XLogP2.22
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.22
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-3-[1-(3-nitrophenyl)ethylamino]propanamide
CID 79139425
N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 43200358
2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl carbamate
CID 83209828
1,1-dimethyl-3-[2-[1-(4-methyl-3-nitrophenyl)ethylamino]ethyl]urea
CID 83107937
methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
1-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]ethanamine
CID 43533210
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide (CID 79380363) is N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide is Cc1ccc(C(C)NCCC(=O)NC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide?
The InChIKey is UISPSXKBDNNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-3-4-12(9-14(10)18(20)21)11(2)16-8-7-15(19)17-13-5-6-13/h3-4,9,11,13,16H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide?
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide has a molecular weight of 291.35 g/mol, XLogP of 2.22, 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-(4-methyl-3-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 79380363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).