2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide

C16H27NO3 — CID 71924916

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)COCC1CC1
InChIInChI=1S/C16H27NO3/c18-15(10-20-9-11-1-2-11)8-17-16(19)7-14-6-12-3-4-13(14)5-12/h11-15,18H,1-10H2,(H,17,19)
InChIKeyHHWSFZZVVFAMHC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.72
Rot. Bonds8

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide (PubChem CID 71924916) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
PubChem CID71924916
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)COCC1CC1
InChIInChI=1S/C16H27NO3/c18-15(10-20-9-11-1-2-11)8-17-16(19)7-14-6-12-3-4-13(14)5-12/h11-15,18H,1-10H2,(H,17,19)
InChIKeyHHWSFZZVVFAMHC-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911338
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60635528
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003
N-(2-amino-4,4-dimethylpentyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 107158527
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-4,4-dimethylpentyl)acetamide
CID 107156893
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide (CID 71924916) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide is O=C(CC1CC2CCC1C2)NCC(O)COCC1CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide?
The InChIKey is HHWSFZZVVFAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(10-20-9-11-1-2-11)8-17-16(19)7-14-6-12-3-4-13(14)5-12/h11-15,18H,1-10H2,(H,17,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 71924916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).