3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide

C18H26N2O2 — CID 120502115

IUPAC3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
SMILESCC(N)C(C)C(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-12(13(2)19)17(21)20-15-11-18(9-5-6-10-18)22-16-8-4-3-7-14(15)16/h3-4,7-8,12-13,15H,5-6,9-11,19H2,1-2H3,(H,20,21)
InChIKeyZOQKXINURSSXBD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide

3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide (PubChem CID 120502115) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
PubChem CID120502115
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
SMILESCC(N)C(C)C(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-12(13(2)19)17(21)20-15-11-18(9-5-6-10-18)22-16-8-4-3-7-14(15)16/h3-4,7-8,12-13,15H,5-6,9-11,19H2,1-2H3,(H,20,21)
InChIKeyZOQKXINURSSXBD-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpentanamide;hydrochloride
CID 119815681
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119957742
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The IUPAC name of 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide (CID 120502115) is 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide.
What is the SMILES notation for 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The canonical SMILES for 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide is CC(N)C(C)C(=O)NC1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The InChIKey is ZOQKXINURSSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(13(2)19)17(21)20-15-11-18(9-5-6-10-18)22-16-8-4-3-7-14(15)16/h3-4,7-8,12-13,15H,5-6,9-11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide has a molecular weight of 302.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide is sourced from PubChem (CID 120502115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).