N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide

C19H27N3O4 — CID 4248848

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H27N3O4/c1-13(26-17-11-9-16(10-12-17)22(24)25)18(23)21-20-15-7-5-14(6-8-15)19(2,3)4/h9-14H,5-8H2,1-4H3,(H,21,23)/b20-15-
InChIKeyBUCGDPGSTMYUPM-HKWRFOASSA-N
MW361.44 g/mol
LogP4.07
Rot. Bonds5

About N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide

N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide (PubChem CID 4248848) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
PubChem CID4248848
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H27N3O4/c1-13(26-17-11-9-16(10-12-17)22(24)25)18(23)21-20-15-7-5-14(6-8-15)19(2,3)4/h9-14H,5-8H2,1-4H3,(H,21,23)/b20-15-
InChIKeyBUCGDPGSTMYUPM-HKWRFOASSA-N
XLogP4.07
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
CID 4196461
N-[(4-tert-butylcyclohexylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 3874040
(2S)-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-nitrophenoxy)propanamide
CID 29091817
2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
CID 3584693
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 136766986
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
CID 7816857
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide (CID 4248848) is N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is BUCGDPGSTMYUPM-HKWRFOASSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(26-17-11-9-16(10-12-17)22(24)25)18(23)21-20-15-7-5-14(6-8-15)19(2,3)4/h9-14H,5-8H2,1-4H3,(H,21,23)/b20-15-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 361.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4248848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).