N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide

C16H22N2O3 — CID 106297206

IUPACN-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNCC1(NC(=O)C2CCOc3ccccc32)CCOCC1
InChIInChI=1S/C16H22N2O3/c17-11-16(6-9-20-10-7-16)18-15(19)13-5-8-21-14-4-2-1-3-12(13)14/h1-4,13H,5-11,17H2,(H,18,19)
InChIKeyUTRBQCQZZPWRSL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 106297206) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID106297206
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNCC1(NC(=O)C2CCOc3ccccc32)CCOCC1
InChIInChI=1S/C16H22N2O3/c17-11-16(6-9-20-10-7-16)18-15(19)13-5-8-21-14-4-2-1-3-12(13)14/h1-4,13H,5-11,17H2,(H,18,19)
InChIKeyUTRBQCQZZPWRSL-UHFFFAOYSA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(bromomethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106300971
3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
CID 64889234
4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-[1-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63753600
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromene-4-carboxamide
CID 81340415
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 106297206) is N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide is NCC1(NC(=O)C2CCOc3ccccc32)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is UTRBQCQZZPWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-11-16(6-9-20-10-7-16)18-15(19)13-5-8-21-14-4-2-1-3-12(13)14/h1-4,13H,5-11,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 106297206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).