N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide

C20H29N3O2 — CID 164857676

IUPACN-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide
SMILESCc1cc(NC(=O)CC2CC2)ccc1/C(N)=C/NCC1CCCCO1
InChIInChI=1S/C20H29N3O2/c1-14-10-16(23-20(24)11-15-5-6-15)7-8-18(14)19(21)13-22-12-17-4-2-3-9-25-17/h7-8,10,13,15,17,22H,2-6,9,11-12,21H2,1H3,(H,23,24)/b19-13-
InChIKeyZZBHLKMGAGZYGT-UYRXBGFRSA-N
MW343.47 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide

N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide (PubChem CID 164857676) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide
PubChem CID164857676
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide
SMILESCc1cc(NC(=O)CC2CC2)ccc1/C(N)=C/NCC1CCCCO1
InChIInChI=1S/C20H29N3O2/c1-14-10-16(23-20(24)11-15-5-6-15)7-8-18(14)19(21)13-22-12-17-4-2-3-9-25-17/h7-8,10,13,15,17,22H,2-6,9,11-12,21H2,1H3,(H,23,24)/b19-13-
InChIKeyZZBHLKMGAGZYGT-UYRXBGFRSA-N
XLogP3.15
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-1-(4-but-1-ynyl-2-methylphenyl)-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164858003
(Z)-1-[2-methyl-4-[3-(propan-2-ylamino)prop-1-ynyl]phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857924
(Z)-1-[4-[(Z)-1-amino-3-ethyliminoprop-1-en-2-yl]-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857931
1-[3-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]prop-2-ynyl]pyrrolidine-2-carboxylic acid
CID 164857486
(Z)-1-[4-(2,5-diazaspiro[3.4]octan-2-yl)-2-methylphenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857557
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
(Z)-1-[2-methyl-4-(2-pyridin-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857170
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
(Z)-1-[2-methyl-4-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-N'-(oxan-2-ylmethyl)ethene-1,2-diamine
CID 164857749
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide?
The IUPAC name of N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide (CID 164857676) is N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide is Cc1cc(NC(=O)CC2CC2)ccc1/C(N)=C/NCC1CCCCO1.
What is the InChIKey of N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide?
The InChIKey is ZZBHLKMGAGZYGT-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-10-16(23-20(24)11-15-5-6-15)7-8-18(14)19(21)13-22-12-17-4-2-3-9-25-17/h7-8,10,13,15,17,22H,2-6,9,11-12,21H2,1H3,(H,23,24)/b19-13-.
What are the key properties of N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide?
N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide has a molecular weight of 343.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-amino-2-(oxan-2-ylmethylamino)ethenyl]-3-methylphenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 164857676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).