6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide

C16H26N2O3 — CID 61166957

IUPAC6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
SMILESCOc1ccc(C(C)NC(=O)CCCCCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-12(18-16(19)7-5-4-6-10-17)13-8-9-14(20-2)15(11-13)21-3/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyKDOGJTYZBJFHNQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.40
Rot. Bonds9

About 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide

6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide (PubChem CID 61166957) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
PubChem CID61166957
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
SMILESCOc1ccc(C(C)NC(=O)CCCCCN)cc1OC
InChIInChI=1S/C16H26N2O3/c1-12(18-16(19)7-5-4-6-10-17)13-8-9-14(20-2)15(11-13)21-3/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyKDOGJTYZBJFHNQ-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
CID 119720154
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide (CID 61166957) is 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide is COc1ccc(C(C)NC(=O)CCCCCN)cc1OC.
What is the InChIKey of 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide?
The InChIKey is KDOGJTYZBJFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(18-16(19)7-5-4-6-10-17)13-8-9-14(20-2)15(11-13)21-3/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide?
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide has a molecular weight of 294.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 61166957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).