N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide

C19H33N5O4 — CID 144716594

IUPACN-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)OCCC(C)(C)CN(N)/C=C(\N)CN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N5O4/c1-14(25)22-12-19(4,5)28-9-8-18(2,3)13-23(21)10-15(20)11-24-16(26)6-7-17(24)27/h6-7,10H,8-9,11-13,20-21H2,1-5H3,(H,22,25)/b15-10-
InChIKeyQHVZHVWCMOGYIY-GDNBJRDFSA-N
MW395.50 g/mol
LogP0.23
Rot. Bonds11

About N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide

N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide (PubChem CID 144716594) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide
PubChem CID144716594
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC NameN-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)OCCC(C)(C)CN(N)/C=C(\N)CN1C(=O)C=CC1=O
InChIInChI=1S/C19H33N5O4/c1-14(25)22-12-19(4,5)28-9-8-18(2,3)13-23(21)10-15(20)11-24-16(26)6-7-17(24)27/h6-7,10H,8-9,11-13,20-21H2,1-5H3,(H,22,25)/b15-10-
InChIKeyQHVZHVWCMOGYIY-GDNBJRDFSA-N
XLogP0.23
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide?
The IUPAC name of N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide (CID 144716594) is N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)OCCC(C)(C)CN(N)/C=C(\N)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide?
The InChIKey is QHVZHVWCMOGYIY-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-14(25)22-12-19(4,5)28-9-8-18(2,3)13-23(21)10-15(20)11-24-16(26)6-7-17(24)27/h6-7,10H,8-9,11-13,20-21H2,1-5H3,(H,22,25)/b15-10-.
What are the key properties of N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide?
N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 0.23, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[amino-[(Z)-2-amino-3-(2,5-dioxopyrrol-1-yl)prop-1-enyl]amino]-3,3-dimethylbutoxy]-2-methylpropyl]acetamide is sourced from PubChem (CID 144716594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).