4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide

C19H28ClN3O2 — CID 5161966

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)23-10-8-17(9-11-23)21-22-19(24)5-4-12-25-18-7-6-16(20)13-15(18)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,24)
InChIKeyAGEOUTQRUVYRFN-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.78
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide (PubChem CID 5161966) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
PubChem CID5161966
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-14(2)23-10-8-17(9-11-23)21-22-19(24)5-4-12-25-18-7-6-16(20)13-15(18)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,24)
InChIKeyAGEOUTQRUVYRFN-UHFFFAOYSA-N
XLogP3.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 3263957
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9317266
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 51421239
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40642671
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
CID 4601876

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide (CID 5161966) is 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NN=C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
The InChIKey is AGEOUTQRUVYRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14(2)23-10-8-17(9-11-23)21-22-19(24)5-4-12-25-18-7-6-16(20)13-15(18)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,24).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide has a molecular weight of 365.91 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide is sourced from PubChem (CID 5161966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).