2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid

C21H24N2O5 — CID 119214636

IUPAC2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C21H24N2O5/c24-18(23-21(14-19(25)26)8-11-28-12-9-21)7-10-22-20(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyWTHMIUYNTDOWCT-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.10
Rot. Bonds7

About 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid

2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid (PubChem CID 119214636) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
PubChem CID119214636
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C21H24N2O5/c24-18(23-21(14-19(25)26)8-11-28-12-9-21)7-10-22-20(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,22,27)(H,23,24)(H,25,26)
InChIKeyWTHMIUYNTDOWCT-UHFFFAOYSA-N
XLogP2.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
2-[4-[[2-[(3-bromobenzoyl)amino]acetyl]amino]oxan-4-yl]acetic acid
CID 120521496
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583174
2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid
CID 120521448
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 104630584
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
CID 75429098
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
2-[4-(1,3-benzodioxole-5-carbonylamino)oxan-4-yl]acetic acid
CID 119215665
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid (CID 119214636) is 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)CCNC(=O)c2ccc3ccccc3c2)CCOCC1.
What is the InChIKey of 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid?
The InChIKey is WTHMIUYNTDOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-18(23-21(14-19(25)26)8-11-28-12-9-21)7-10-22-20(27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,13H,7-12,14H2,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid?
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).