2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride

C16H23ClN2O2 — CID 119762189

IUPAC2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1CCOc2ccccc21
InChIInChI=1S/C16H22N2O2.ClH/c19-16(11-17-9-12-5-6-12)18-10-13-7-8-20-15-4-2-1-3-14(13)15;/h1-4,12-13,17H,5-11H2,(H,18,19);1H
InChIKeyFTXWXVQQYCNJQW-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.09
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride (PubChem CID 119762189) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
PubChem CID119762189
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1CCOc2ccccc21
InChIInChI=1S/C16H22N2O2.ClH/c19-16(11-17-9-12-5-6-12)18-10-13-7-8-20-15-4-2-1-3-14(13)15;/h1-4,12-13,17H,5-11H2,(H,18,19);1H
InChIKeyFTXWXVQQYCNJQW-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(cyclopropylmethylamino)-N-(2,3-dihydro-1H-inden-1-ylmethyl)acetamide;hydrochloride
CID 119783179
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460132
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride (CID 119762189) is 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCC1CCOc2ccccc21.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride?
The InChIKey is FTXWXVQQYCNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c19-16(11-17-9-12-5-6-12)18-10-13-7-8-20-15-4-2-1-3-14(13)15;/h1-4,12-13,17H,5-11H2,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119762189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).