N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide

C16H30N2O2 — CID 124572050

IUPACN-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)NCCNC1CCCCCC1
InChIInChI=1S/C16H30N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h14-15,17H,1-13H2,(H,18,19)/t15-/m1/s1
InChIKeyNNDRPGUXUYSKTF-OAHLLOKOSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 124572050) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID124572050
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)NCCNC1CCCCCC1
InChIInChI=1S/C16H30N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h14-15,17H,1-13H2,(H,18,19)/t15-/m1/s1
InChIKeyNNDRPGUXUYSKTF-OAHLLOKOSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
2-[2-[3-(oxan-2-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242572
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 103767595
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 124572050) is N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide is O=C(CC[C@H]1CCCO1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is NNDRPGUXUYSKTF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-16(10-9-15-8-5-13-20-15)18-12-11-17-14-6-3-1-2-4-7-14/h14-15,17H,1-13H2,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 124572050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).