N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide

C22H37NO4 — CID 18373005

IUPACN-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide
SMILESCCCCCCCCCCCOc1cccc(C(O)C(CO)NC(C)=O)c1
InChIInChI=1S/C22H37NO4/c1-3-4-5-6-7-8-9-10-11-15-27-20-14-12-13-19(16-20)22(26)21(17-24)23-18(2)25/h12-14,16,21-22,24,26H,3-11,15,17H2,1-2H3,(H,23,25)
InChIKeyUKFUTQIWODKILY-UHFFFAOYSA-N
MW379.54 g/mol
LogP4.13
Rot. Bonds15

About N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide

N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide (PubChem CID 18373005) has the molecular formula C22H37NO4 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide
PubChem CID18373005
Molecular FormulaC22H37NO4
Molecular Weight379.54 g/mol
Exact Mass379.27
IUPAC NameN-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide
SMILESCCCCCCCCCCCOc1cccc(C(O)C(CO)NC(C)=O)c1
InChIInChI=1S/C22H37NO4/c1-3-4-5-6-7-8-9-10-11-15-27-20-14-12-13-19(16-20)22(26)21(17-24)23-18(2)25/h12-14,16,21-22,24,26H,3-11,15,17H2,1-2H3,(H,23,25)
InChIKeyUKFUTQIWODKILY-UHFFFAOYSA-N
XLogP4.13
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dihydroxy-1-(3-undec-1-ynylphenyl)propan-2-yl]acetamide
CID 18373000
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933
2-acetamido-3-(3-hexoxyphenyl)propanoic acid
CID 54846799
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-4-heptoxybenzamide
CID 54852924
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1,3-dihexadecoxybenzene
CID 12686834
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
CID 69117034
CID 69117034
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide (CID 18373005) is N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide is CCCCCCCCCCCOc1cccc(C(O)C(CO)NC(C)=O)c1.
What is the InChIKey of N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide?
The InChIKey is UKFUTQIWODKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4/c1-3-4-5-6-7-8-9-10-11-15-27-20-14-12-13-19(16-20)22(26)21(17-24)23-18(2)25/h12-14,16,21-22,24,26H,3-11,15,17H2,1-2H3,(H,23,25).
What are the key properties of N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide?
N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide has a molecular weight of 379.54 g/mol, XLogP of 4.13, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-1-(3-undecoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 18373005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).