N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C16H31N3O2 — CID 67073989

IUPACN-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCO[C@H]1CCCCC1NC(=O)CN1CCCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-15-8-5-4-7-14(15)17-16(20)13-19-10-6-9-18(2)11-12-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t14?,15-/m0/s1
InChIKeyRVTSVRQVFWUNTC-LOACHALJSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds5

About N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 67073989) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID67073989
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCCO[C@H]1CCCCC1NC(=O)CN1CCCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-15-8-5-4-7-14(15)17-16(20)13-19-10-6-9-18(2)11-12-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t14?,15-/m0/s1
InChIKeyRVTSVRQVFWUNTC-LOACHALJSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[(3R,4S)-3-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91796940
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 21383086
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
2-(2-ethoxycyclohexyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 123877002
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-ylsulfanyl)-N-(2-ethoxycyclohexyl)acetamide
CID 175646624
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91776740

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 67073989) is N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CCO[C@H]1CCCCC1NC(=O)CN1CCCN(C)CC1.
What is the InChIKey of N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is RVTSVRQVFWUNTC-LOACHALJSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-21-15-8-5-4-7-14(15)17-16(20)13-19-10-6-9-18(2)11-12-19/h14-15H,3-13H2,1-2H3,(H,17,20)/t14?,15-/m0/s1.
What are the key properties of N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 67073989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).