N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide

C18H26N2O2 — CID 129479095

IUPACN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C18H26N2O2/c21-18(11-15-7-8-15)19-12-17-14-20(9-4-10-22-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,19,21)/t17-/m0/s1
InChIKeyDOCCVORMRQDMMB-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds6

About N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide (PubChem CID 129479095) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
PubChem CID129479095
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C18H26N2O2/c21-18(11-15-7-8-15)19-12-17-14-20(9-4-10-22-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,19,21)/t17-/m0/s1
InChIKeyDOCCVORMRQDMMB-KRWDZBQOSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98460088
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide (CID 129479095) is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide is O=C(CC1CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1.
What is the InChIKey of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide?
The InChIKey is DOCCVORMRQDMMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(11-15-7-8-15)19-12-17-14-20(9-4-10-22-17)13-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide?
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 129479095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).