N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide

C19H18N2O4 — CID 13380581

IUPACN-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
SMILESCOc1ccc(NCCNC(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O4/c1-11(22)20-9-10-21-14-7-8-15(25-2)17-16(14)18(23)12-5-3-4-6-13(12)19(17)24/h3-8,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyYTPIQACIEJJHIL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide

N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide (PubChem CID 13380581) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
PubChem CID13380581
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
SMILESCOc1ccc(NCCNC(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O4/c1-11(22)20-9-10-21-14-7-8-15(25-2)17-16(14)18(23)12-5-3-4-6-13(12)19(17)24/h3-8,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyYTPIQACIEJJHIL-UHFFFAOYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-[[4-[2-[[(2S)-2-aminopropanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]propanamide
CID 54590172
(2R)-2-amino-N-[2-[[4-(2-aminoethylamino)-9,10-dioxoanthracen-1-yl]amino]ethyl]propanamide
CID 67666979
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]butanamide
CID 71188680
1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;ethane
CID 171638845
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
CID 3019962
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
1-[2-(2-hydroxyethylamino)ethylamino]-4-methylanthracene-9,10-dione;hydrochloride
CID 54609805
2-[[4-(carboxymethylamino)-9,10-dioxoanthracen-1-yl]amino]acetic acid
CID 135183133
N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
CID 107529067
2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]ethanesulfonic acid
CID 135183157
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]-2-pyridin-1-ium-1-ylacetamide
CID 169006741

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide (CID 13380581) is N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide is COc1ccc(NCCNC(C)=O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide?
The InChIKey is YTPIQACIEJJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(22)20-9-10-21-14-7-8-15(25-2)17-16(14)18(23)12-5-3-4-6-13(12)19(17)24/h3-8,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide?
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide is sourced from PubChem (CID 13380581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).