4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride

C13H27ClN2O2 — CID 119325380

IUPAC4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-9-5-8-13(16)15-10-11-17-12-6-3-1-2-4-7-12;/h12H,1-11,14H2,(H,15,16);1H
InChIKeyIASMRQSQBVSUJR-UHFFFAOYSA-N
MW278.82 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride

4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride (PubChem CID 119325380) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
PubChem CID119325380
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCOC1CCCCCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-9-5-8-13(16)15-10-11-17-12-6-3-1-2-4-7-12;/h12H,1-11,14H2,(H,15,16);1H
InChIKeyIASMRQSQBVSUJR-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 52.00
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

3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
CID 107030121
6-amino-N-(3-cyclohexyloxypropyl)-4,4-dimethylhexanamide
CID 65292212
ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride (CID 119325380) is 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride is Cl.NCCCC(=O)NCCOC1CCCCCC1.
What is the InChIKey of 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride?
The InChIKey is IASMRQSQBVSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c14-9-5-8-13(16)15-10-11-17-12-6-3-1-2-4-7-12;/h12H,1-11,14H2,(H,15,16);1H.
What are the key properties of 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride?
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride is sourced from PubChem (CID 119325380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).