N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide

C14H21NO — CID 101184931

IUPACN-[(1R)-1-(4-tert-butylphenyl)propyl]formamide
SMILESCC[C@@H](NC=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-13(15-10-16)11-6-8-12(9-7-11)14(2,3)4/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyZHLAKYMXZBDBJF-CYBMUJFWSA-N
MW219.33 g/mol
LogP3.18
Rot. Bonds4

About N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide

N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide (PubChem CID 101184931) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)propyl]formamide
PubChem CID101184931
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)propyl]formamide
SMILESCC[C@@H](NC=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO/c1-5-13(15-10-16)11-6-8-12(9-7-11)14(2,3)4/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyZHLAKYMXZBDBJF-CYBMUJFWSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide (CID 101184931) is N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide is CC[C@@H](NC=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide?
The InChIKey is ZHLAKYMXZBDBJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-13(15-10-16)11-6-8-12(9-7-11)14(2,3)4/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide?
N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide has a molecular weight of 219.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)propyl]formamide is sourced from PubChem (CID 101184931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).