2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide

C16H22N2O2 — CID 82765616

IUPAC2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2CCOc3ccccc32)CCCC1N
InChIInChI=1S/C16H22N2O2/c1-16(9-4-7-14(16)17)15(19)18-12-8-10-20-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10,17H2,1H3,(H,18,19)
InChIKeyVWOGULAQGYHLKH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82765616) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide
PubChem CID82765616
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2CCOc3ccccc32)CCCC1N
InChIInChI=1S/C16H22N2O2/c1-16(9-4-7-14(16)17)15(19)18-12-8-10-20-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10,17H2,1H3,(H,18,19)
InChIKeyVWOGULAQGYHLKH-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
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CID 120617770
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-(dimethylamino)cyclopropyl]methyl]guanidine
CID 122099464
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide (CID 82765616) is 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NC2CCOc3ccccc32)CCCC1N.
What is the InChIKey of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is VWOGULAQGYHLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(9-4-7-14(16)17)15(19)18-12-8-10-20-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).