2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide

C17H27N4O2+ — CID 7393779

IUPAC2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=C1CC[NH+](C(C)C)CC1
InChIInChI=1S/C17H26N4O2/c1-13(2)21-10-8-14(9-11-21)19-20-17(22)12-18-15-6-4-5-7-16(15)23-3/h4-7,13,18H,8-12H2,1-3H3,(H,20,22)/p+1
InChIKeyFBFUUKZLPKIIBP-UHFFFAOYSA-O
MW319.43 g/mol
LogP0.67
Rot. Bonds6

About 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide

2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide (PubChem CID 7393779) has the molecular formula C17H27N4O2+ and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
PubChem CID7393779
Molecular FormulaC17H27N4O2+
Molecular Weight319.43 g/mol
Exact Mass319.21
IUPAC Name2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=C1CC[NH+](C(C)C)CC1
InChIInChI=1S/C17H26N4O2/c1-13(2)21-10-8-14(9-11-21)19-20-17(22)12-18-15-6-4-5-7-16(15)23-3/h4-7,13,18H,8-12H2,1-3H3,(H,20,22)/p+1
InChIKeyFBFUUKZLPKIIBP-UHFFFAOYSA-O
XLogP0.67
TPSA67.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
2-(2-methoxyanilino)-N-[(Z)-[(2R)-2-phenylcyclohexylidene]amino]acetamide
CID 11935372
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
N-(cycloheptylideneamino)-2-(naphthalen-1-ylamino)acetamide
CID 690335
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide (CID 7393779) is 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide is COc1ccccc1NCC(=O)NN=C1CC[NH+](C(C)C)CC1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide?
The InChIKey is FBFUUKZLPKIIBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)21-10-8-14(9-11-21)19-20-17(22)12-18-15-6-4-5-7-16(15)23-3/h4-7,13,18H,8-12H2,1-3H3,(H,20,22)/p+1.
What are the key properties of 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide?
2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide has a molecular weight of 319.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide is sourced from PubChem (CID 7393779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).