N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

C17H31N3O3 — CID 132971242

IUPACN-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESCOC1CCCC1CNC(=O)N1CCCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-13(2)16(21)19-8-5-9-20(11-10-19)17(22)18-12-14-6-4-7-15(14)23-3/h13-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyKLQWJFYNSGRDGX-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.70
Rot. Bonds4

About N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide (PubChem CID 132971242) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide
PubChem CID132971242
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESCOC1CCCC1CNC(=O)N1CCCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H31N3O3/c1-13(2)16(21)19-8-5-9-20(11-10-19)17(22)18-12-14-6-4-7-15(14)23-3/h13-15H,4-12H2,1-3H3,(H,18,22)
InChIKeyKLQWJFYNSGRDGX-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
N-[(2-methoxycyclopentyl)methyl]propan-2-amine
CID 170206706
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125
N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 124890213
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
N-[[2-(hydroxymethyl)cyclohexyl]methyl]piperidine-1-carboxamide
CID 79156081
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
4-[(2-methoxycyclopentyl)methylcarbamoylamino]butanoic acid
CID 122009010
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide (CID 132971242) is N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide is COC1CCCC1CNC(=O)N1CCCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is KLQWJFYNSGRDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(2)16(21)19-8-5-9-20(11-10-19)17(22)18-12-14-6-4-7-15(14)23-3/h13-15H,4-12H2,1-3H3,(H,18,22).
What are the key properties of N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide?
N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxycyclopentyl)methyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 132971242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).