N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H22N2O2 — CID 43401469

IUPACN-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-2-9-18(11-12-7-8-12)16(19)15-10-17-13-5-3-4-6-14(13)20-15/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyHZVMTLILQYMTDN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.51
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 43401469) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID43401469
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-2-9-18(11-12-7-8-12)16(19)15-10-17-13-5-3-4-6-14(13)20-15/h3-6,12,15,17H,2,7-11H2,1H3
InChIKeyHZVMTLILQYMTDN-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 43401469) is N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CCCN(CC1CC1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is HZVMTLILQYMTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-9-18(11-12-7-8-12)16(19)15-10-17-13-5-3-4-6-14(13)20-15/h3-6,12,15,17H,2,7-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43401469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).