(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide

C15H28N2O2 — CID 97318732

IUPAC(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
SMILESC[C@H](C(=O)NCCOCC1CC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(17-9-4-2-3-5-10-17)15(18)16-8-11-19-12-14-6-7-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyHKXZOZVGKKUISU-CYBMUJFWSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide

(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide (PubChem CID 97318732) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
PubChem CID97318732
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
SMILESC[C@H](C(=O)NCCOCC1CC1)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(17-9-4-2-3-5-10-17)15(18)16-8-11-19-12-14-6-7-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyHKXZOZVGKKUISU-CYBMUJFWSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 110024044
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
CID 97236810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide (CID 97318732) is (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide is C[C@H](C(=O)NCCOCC1CC1)N1CCCCCC1.
What is the InChIKey of (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide?
The InChIKey is HKXZOZVGKKUISU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(17-9-4-2-3-5-10-17)15(18)16-8-11-19-12-14-6-7-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide?
(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide is sourced from PubChem (CID 97318732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).