4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide

C17H26N4O3 — CID 120941701

IUPAC4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-16(23)17(12-18)7-9-24-10-8-17/h3-6H,7-12,18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAMWZJWUJARQWCR-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.88
Rot. Bonds6

About 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide (PubChem CID 120941701) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
PubChem CID120941701
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1
InChIInChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-16(23)17(12-18)7-9-24-10-8-17/h3-6H,7-12,18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAMWZJWUJARQWCR-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120922745
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]oxane-4-carboxamide
CID 115439018
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
CID 120933240
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
4-(aminomethyl)-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]oxane-4-carboxamide;dihydrochloride
CID 120940470

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide (CID 120941701) is 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide is CN(C)CC(=O)Nc1ccc(NC(=O)C2(CN)CCOCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide?
The InChIKey is AMWZJWUJARQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-21(2)11-15(22)19-13-3-5-14(6-4-13)20-16(23)17(12-18)7-9-24-10-8-17/h3-6H,7-12,18H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120941701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).