4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide

C16H22N2O2 — CID 81141952

IUPAC4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide
SMILESCC1(C)CC(NCC2CC2)(C(N)=O)c2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-15(2)10-16(14(17)19,18-9-11-7-8-11)12-5-3-4-6-13(12)20-15/h3-6,11,18H,7-10H2,1-2H3,(H2,17,19)
InChIKeyLWZTXYQRYPVKOT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds4

About 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide

4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide (PubChem CID 81141952) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide
PubChem CID81141952
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide
SMILESCC1(C)CC(NCC2CC2)(C(N)=O)c2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-15(2)10-16(14(17)19,18-9-11-7-8-11)12-5-3-4-6-13(12)20-15/h3-6,11,18H,7-10H2,1-2H3,(H2,17,19)
InChIKeyLWZTXYQRYPVKOT-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide?
The IUPAC name of 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide (CID 81141952) is 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide?
The canonical SMILES for 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide is CC1(C)CC(NCC2CC2)(C(N)=O)c2ccccc2O1.
What is the InChIKey of 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide?
The InChIKey is LWZTXYQRYPVKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2)10-16(14(17)19,18-9-11-7-8-11)12-5-3-4-6-13(12)20-15/h3-6,11,18H,7-10H2,1-2H3,(H2,17,19).
What are the key properties of 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide?
4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-2,2-dimethyl-3H-chromene-4-carboxamide is sourced from PubChem (CID 81141952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).