1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide

C26H42N2O — CID 158551361

IUPAC1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(=O)Cc2ccc(CCCCCCCCCCCCCC)cc2)CC1
InChIInChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-24(29)26(19-20-26)25(27)28/h15-18H,2-14,19-21H2,1H3,(H3,27,28)
InChIKeyHPTLXXURMZJUIX-UHFFFAOYSA-N
MW398.64 g/mol
LogP6.76
Rot. Bonds17

About 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide

1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide (PubChem CID 158551361) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide
PubChem CID158551361
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC Name1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(=O)Cc2ccc(CCCCCCCCCCCCCC)cc2)CC1
InChIInChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-24(29)26(19-20-26)25(27)28/h15-18H,2-14,19-21H2,1H3,(H3,27,28)
InChIKeyHPTLXXURMZJUIX-UHFFFAOYSA-N
XLogP6.76
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-carbamimidoyl-N-(4-decylphenyl)cyclopropane-1-carboxamide
CID 46197558
N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide
CID 172982355
1-[2-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]acetyl]cyclopropane-1-carboximidamide
CID 159302691
N-(1-carbamimidoylcyclopropyl)-4-undecylbenzamide
CID 129231652
1-hexadecanoylcyclopropane-1-carboximidamide;hydrochloride
CID 162044829
N-[4-[7-[[amino-[1-[(4-undecylphenyl)carbamoyl]cyclopropyl]methylidene]amino]dodecyl]phenyl]-1-carbamimidoylcyclopropane-1-carboxamide
CID 129239367
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
sodium 2-(4-tridecylphenyl)acetate
CID 23717024
N-(2-amino-2-iminoethyl)-4-octylbenzamide
CID 44544128
4-octylbenzamide;hydrochloride
CID 131740255
1-[3-(4-tridecylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboximidamide;hydrochloride
CID 127045539
(2R)-2-amino-4-(4-octylphenyl)butanimidamide;dihydrochloride
CID 118255375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The IUPAC name of 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide (CID 158551361) is 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide.
What is the SMILES notation for 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The canonical SMILES for 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide is [H]/N=C(\N)C1(C(=O)Cc2ccc(CCCCCCCCCCCCCC)cc2)CC1.
What is the InChIKey of 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The InChIKey is HPTLXXURMZJUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-24(29)26(19-20-26)25(27)28/h15-18H,2-14,19-21H2,1H3,(H3,27,28).
What are the key properties of 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide?
1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide has a molecular weight of 398.64 g/mol, XLogP of 6.76, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 158551361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).