N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide

C14H18N2O2 — CID 107148977

IUPACN-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
SMILESO=C(CNC1COCc2ccccc21)NC1CC1
InChIInChI=1S/C14H18N2O2/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyMPNNHRCDSUZNBC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.13
Rot. Bonds4

About N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide

N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide (PubChem CID 107148977) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
PubChem CID107148977
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
SMILESO=C(CNC1COCc2ccccc21)NC1CC1
InChIInChI=1S/C14H18N2O2/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17)
InChIKeyMPNNHRCDSUZNBC-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetamide
CID 43778008
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
CID 107149625
2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
CID 114132346
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
CID 107149446
2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide
CID 156906362
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
N-(2,2,3,3-tetrafluoropropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 114169070
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide (CID 107148977) is N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide is O=C(CNC1COCc2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide?
The InChIKey is MPNNHRCDSUZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-11-5-6-11)7-15-13-9-18-8-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide?
N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide is sourced from PubChem (CID 107148977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).