5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide

C17H26N2O2 — CID 104684286

IUPAC5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
SMILESC=CCOc1ccc(CN(C)C(=O)C(C)CCCN)cc1
InChIInChI=1S/C17H26N2O2/c1-4-12-21-16-9-7-15(8-10-16)13-19(3)17(20)14(2)6-5-11-18/h4,7-10,14H,1,5-6,11-13,18H2,2-3H3
InChIKeyTUCMNZDZFZZYCP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds9

About 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide

5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide (PubChem CID 104684286) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
PubChem CID104684286
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
SMILESC=CCOc1ccc(CN(C)C(=O)C(C)CCCN)cc1
InChIInChI=1S/C17H26N2O2/c1-4-12-21-16-9-7-15(8-10-16)13-19(3)17(20)14(2)6-5-11-18/h4,7-10,14H,1,5-6,11-13,18H2,2-3H3
InChIKeyTUCMNZDZFZZYCP-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
CID 103830978
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
2,6-difluoro-N-[(2S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 24544778
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
CID 43573850

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide (CID 104684286) is 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide is C=CCOc1ccc(CN(C)C(=O)C(C)CCCN)cc1.
What is the InChIKey of 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide?
The InChIKey is TUCMNZDZFZZYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-12-21-16-9-7-15(8-10-16)13-19(3)17(20)14(2)6-5-11-18/h4,7-10,14H,1,5-6,11-13,18H2,2-3H3.
What are the key properties of 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide?
5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 104684286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).