N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide

C22H24N2O4 — CID 146097164

IUPACN-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide
SMILESCO[C@@H](C)[C@H](C)NC(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H24N2O4/c1-12(14(3)28-4)23-13(2)22(27)24-15-9-10-18-19(11-15)21(26)17-8-6-5-7-16(17)20(18)25/h5-14,23H,1-4H3,(H,24,27)/t12-,13?,14-/m0/s1
InChIKeyOSOMUIGGRXSHOB-HPNRGHHYSA-N
MW380.44 g/mol
LogP2.80
Rot. Bonds6

About N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide

N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide (PubChem CID 146097164) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide
PubChem CID146097164
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide
SMILESCO[C@@H](C)[C@H](C)NC(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H24N2O4/c1-12(14(3)28-4)23-13(2)22(27)24-15-9-10-18-19(11-15)21(26)17-8-6-5-7-16(17)20(18)25/h5-14,23H,1-4H3,(H,24,27)/t12-,13?,14-/m0/s1
InChIKeyOSOMUIGGRXSHOB-HPNRGHHYSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8920166
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018793
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 8759898
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] butanoate
CID 7796781
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316551
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 8861064
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 8021001
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717600

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide (CID 146097164) is N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide is CO[C@@H](C)[C@H](C)NC(C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide?
The InChIKey is OSOMUIGGRXSHOB-HPNRGHHYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-12(14(3)28-4)23-13(2)22(27)24-15-9-10-18-19(11-15)21(26)17-8-6-5-7-16(17)20(18)25/h5-14,23H,1-4H3,(H,24,27)/t12-,13?,14-/m0/s1.
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide?
N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide is sourced from PubChem (CID 146097164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).