(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide

C15H29N3O — CID 164633952

IUPAC(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCCC[C@@H]1CN1CCCC1
InChIInChI=1S/C15H29N3O/c1-13(2)16-15(19)18-11-5-3-4-8-14(18)12-17-9-6-7-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyWNTQDUONCFASQU-CQSZACIVSA-N
MW267.42 g/mol
LogP2.44
Rot. Bonds3

About (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide

(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide (PubChem CID 164633952) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
PubChem CID164633952
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCCC[C@@H]1CN1CCCC1
InChIInChI=1S/C15H29N3O/c1-13(2)16-15(19)18-11-5-3-4-8-14(18)12-17-9-6-7-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyWNTQDUONCFASQU-CQSZACIVSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-2-imidazolidinone
CID 580352
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
N-Propyl-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196372
2-Imidazolidinone, 1-octadecyl-
CID 78689
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-(Propan-2-YL)-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196371
N-Cyclohexyl-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 124042345
d-4-n-Hexylimidazolidone
CID 9834077
1-Dodecylimidazolidin-2-one
CID 13052967
Hexylimidazolidone
CID 20636606
N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
CID 17180342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide (CID 164633952) is (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide is CC(C)NC(=O)N1CCCCC[C@@H]1CN1CCCC1.
What is the InChIKey of (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The InChIKey is WNTQDUONCFASQU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)16-15(19)18-11-5-3-4-8-14(18)12-17-9-6-7-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 164633952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).