N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide

C22H29NO3 — CID 55377741

IUPACN-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C22H29NO3/c1-4-25-20-13-8-9-14-21(20)26-16-10-15-22(24)23(18(2)3)17-19-11-6-5-7-12-19/h5-9,11-14,18H,4,10,15-17H2,1-3H3
InChIKeyPDEJJBHKSJJOHP-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.68
Rot. Bonds10

About N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide

N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide (PubChem CID 55377741) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
PubChem CID55377741
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
SMILESCCOc1ccccc1OCCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C22H29NO3/c1-4-25-20-13-8-9-14-21(20)26-16-10-15-22(24)23(18(2)3)17-19-11-6-5-7-12-19/h5-9,11-14,18H,4,10,15-17H2,1-3H3
InChIKeyPDEJJBHKSJJOHP-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-benzyl-N-propan-2-yl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
CID 67159905
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
2-[4-phenylmethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 119198503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide?
The IUPAC name of N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide (CID 55377741) is N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide?
The canonical SMILES for N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide is CCOc1ccccc1OCCCC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide?
The InChIKey is PDEJJBHKSJJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-25-20-13-8-9-14-21(20)26-16-10-15-22(24)23(18(2)3)17-19-11-6-5-7-12-19/h5-9,11-14,18H,4,10,15-17H2,1-3H3.
What are the key properties of N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide?
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide has a molecular weight of 355.48 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide is sourced from PubChem (CID 55377741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).