N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H19NO3 — CID 81042134

IUPACN-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(CCO)NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-10(6-7-16)15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyFUUHXSVSIBKMAC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.12
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 81042134) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID81042134
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(CCO)NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-10(6-7-16)15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyFUUHXSVSIBKMAC-UHFFFAOYSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106354878
N-(1-chloro-3-methylbutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114305640
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
(3S)-N-[(2S)-4-hydroxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97019657
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-methylsulfanylbutanoic acid
CID 43241896
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467724
N-(4-chloro-1-methoxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106155714
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 81042134) is N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(CCO)NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FUUHXSVSIBKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(6-7-16)15-14(17)12-8-11-4-2-3-5-13(11)18-9-12/h2-5,10,12,16H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 81042134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).